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

Systemtic Name: 4-(azepan-1-yl)-6-(3-methoxyphenyl)sulfonyl-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine Openeye Name: 4-(azepan-1-yl)-6-(3-methoxyphenyl)sulfonyl-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine CAS Name: 4-(1-azepanyl)-6-(3-methoxyphenyl)sulfonyl-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine IUPAC Name: 4-(azepan-1-yl)-6-(3-methoxyphenyl)sulfonyl-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine Traditional Name: 4-(azepan-1-yl)-6-(3-methoxyphenyl)sulfonyl-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(CN(CC2)S(=O)(=O)C3=CC=CC(=C3)OC)C(=N1)N4CCCCCC4

Isomeric SMILES

CC1=NC2=C(CN(CC2)S(=O)(=O)C3=CC=CC(=C3)OC)C(=N1)N4CCCCCC4

InChI

InChI=1S/C21H28N4O3S/c1-16-22-20-10-13-25(29(26,27)18-9-7-8-17(14-18)28-2)15-19(20)21(23-16)24-11-5-3-4-6-12-24/h7-9,14H,3-6,10-13,15H2,1-2H3