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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)S(=O)(=O)N2CCC3=C(C2)C(=NC(=N3)C4=CC=CC=N4)N5CCCCCC5

Isomeric SMILES

COC1=CC(=CC=C1)S(=O)(=O)N2CCC3=C(C2)C(=NC(=N3)C4=CC=CC=N4)N5CCCCCC5

InChI

InChI=1S/C25H29N5O3S/c1-33-19-9-8-10-20(17-19)34(31,32)30-16-12-22-21(18-30)25(29-14-6-2-3-7-15-29)28-24(27-22)23-11-4-5-13-26-23/h4-5,8-11,13,17H,2-3,6-7,12,14-16,18H2,1H3