Aitheantas

Avanafil impurity 28

Gan liostú · C23H27N7O3

01Aitheantas

Lazychem ID	LC-42776
CAS RN	Gan liostú
PubChem CID	20607192
Molecular formula	C23H27N7O3
Molecular weight	449.5 g/mol
IUPAC name	2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-[(4-methoxyphenyl)methylamino]-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide
InChIKey	SLDZWDGMJFBYLK-KRWDZBQOSA-N

02Struchtúr agus steiréicheimic

Two-dimensional chemical structure of Avanafil impurity 28 — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aromatic atoms, includes aliphatic carbon, has 1 defined stereocentre. These statements are calculated from the published structure string.

Defined stereocentres	1
Ring count	4
Secondary amines	1
Tertiary amines	1

SMILES	COC1=CC=C(C=C1)CNC2=NC(=NC=C2C(=O)NCC3=NC=CC=N3)N4CCC[C@H]4CO
InChI	Gan liostú

03Stereochemistry

The published structure contains 1 defined and 0 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.

Defined centres1Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 2Before symmetry reduction

Published same-connectivity configurations

2 records

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.