4-(azepan-1-yl)-6-(3-methoxyphenyl)sulfonyl-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

Systemtic Name: 4-(azepan-1-yl)-6-(3-methoxyphenyl)sulfonyl-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine Openeye Name: 4-(azepan-1-yl)-6-(3-methoxyphenyl)sulfonyl-2-(3-pyridyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine CAS Name: 4-(1-azepanyl)-6-(3-methoxyphenyl)sulfonyl-2-(3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine IUPAC Name: 4-(azepan-1-yl)-6-(3-methoxyphenyl)sulfonyl-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine Traditional Name: 4-(azepan-1-yl)-6-(3-methoxyphenyl)sulfonyl-2-(3-pyridyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine Formula: C25H29N5O3S MolecularWeight: 479.59446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)S(=O)(=O)N2CCC3=C(C2)C(=NC(=N3)C4=CN=CC=C4)N5CCCCCC5

Isomeric SMILES

COC1=CC(=CC=C1)S(=O)(=O)N2CCC3=C(C2)C(=NC(=N3)C4=CN=CC=C4)N5CCCCCC5

InChI

InChI=1S/C25H29N5O3S/c1-33-20-9-6-10-21(16-20)34(31,32)30-15-11-23-22(18-30)25(29-13-4-2-3-5-14-29)28-24(27-23)19-8-7-12-26-17-19/h6-10,12,16-17H,2-5,11,13-15,18H2,1H3