N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-(diphenylmethyl)sulfanyl-N-(2-methylpropyl)ethanamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-(diphenylmethyl)sulfanyl-N-(2-methylpropyl)ethanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-2-benzhydrylsulfanyl-N-isobutyl-acetamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-2-[(diphenylmethyl)thio]-N-(2-methylpropyl)acetamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-benzhydrylsulfanyl-N-(2-methylpropyl)acetamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-2-(benzhydrylthio)-N-isobutyl-acetamide Formula: C27H34N4O3S MolecularWeight: 494.64886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)CSC(C2=CC=CC=C2)C3=CC=CC=C3)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)CSC(C2=CC=CC=C2)C3=CC=CC=C3)N

InChI

InChI=1S/C27H34N4O3S/c1-4-5-16-30-25(28)23(26(33)29-27(30)34)31(17-19(2)3)22(32)18-35-24(20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,19,24H,4-5,16-18,28H2,1-3H3,(H,29,33,34)