3-(6-azanylhexyl)-2-(phenethylamino)-6-pyridin-4-yl-pyrimidin-4-one

Systemtic Name: 3-(6-azanylhexyl)-2-(phenethylamino)-6-pyridin-4-yl-pyrimidin-4-one Openeye Name: 3-(6-aminohexyl)-2-(phenethylamino)-6-(4-pyridyl)pyrimidin-4-one CAS Name: 3-(6-aminohexyl)-2-(phenethylamino)-6-pyridin-4-yl-4-pyrimidinone IUPAC Name: 3-(6-aminohexyl)-2-(phenethylamino)-6-pyridin-4-ylpyrimidin-4-one Traditional Name: 3-(6-aminohexyl)-2-(phenethylamino)-6-(4-pyridyl)pyrimidin-4-one Formula: C23H29N5O MolecularWeight: 391.50926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=NC(=CC(=O)N2CCCCCCN)C3=CC=NC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=NC(=CC(=O)N2CCCCCCN)C3=CC=NC=C3

InChI

InChI=1S/C23H29N5O/c24-13-6-1-2-7-17-28-22(29)18-21(20-11-14-25-15-12-20)27-23(28)26-16-10-19-8-4-3-5-9-19/h3-5,8-9,11-12,14-15,18H,1-2,6-7,10,13,16-17,24H2,(H,26,27)