4-(azepan-1-yl)-3-[[2-(4-chlorophenyl)sulfanylphenyl]methyl]-N-pyrrolidin-3-yl-4H-pyrimidin-2-amine

Systemtic Name: 4-(azepan-1-yl)-3-[[2-(4-chlorophenyl)sulfanylphenyl]methyl]-N-pyrrolidin-3-yl-4H-pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-3-[[2-(4-chlorophenyl)sulfanylphenyl]methyl]-N-pyrrolidin-3-yl-4H-pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-3-[[2-[(4-chlorophenyl)thio]phenyl]methyl]-N-(3-pyrrolidinyl)-4H-pyrimidin-2-amine IUPAC Name: 4-(azepan-1-yl)-3-[[2-(4-chlorophenyl)sulfanylphenyl]methyl]-N-pyrrolidin-3-yl-4H-pyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)-3-[2-[(4-chlorophenyl)thio]benzyl]-4H-pyrimidin-2-yl]-pyrrolidin-3-yl-amine Formula: C27H34ClN5S MolecularWeight: 496.11036

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2C=CN=C(N2CC3=CC=CC=C3SC4=CC=C(C=C4)Cl)NC5CCNC5

Isomeric SMILES

C1CCCN(CC1)C2C=CN=C(N2CC3=CC=CC=C3SC4=CC=C(C=C4)Cl)NC5CCNC5

InChI

InChI=1S/C27H34ClN5S/c28-22-9-11-24(12-10-22)34-25-8-4-3-7-21(25)20-33-26(32-17-5-1-2-6-18-32)14-16-30-27(33)31-23-13-15-29-19-23/h3-4,7-12,14,16,23,26,29H,1-2,5-6,13,15,17-20H2,(H,30,31)