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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34N4O3S/c1-3-5-17-30(23-25(28)31(18-6-4-2)27(34)29-26(23)33)22(32)19-35-24(20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,24H,3-6,17-19,28H2,1-2H3,(H,29,33,34)