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

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-N-butyl-2-(diphenylmethyl)sulfanyl-ethanamide Openeye Name: N-(6-amino-2,4-dioxo-1-propyl-pyrimidin-5-yl)-2-benzhydrylsulfanyl-N-butyl-acetamide CAS Name: N-(6-amino-2,4-dioxo-1-propyl-5-pyrimidinyl)-N-butyl-2-[(diphenylmethyl)thio]acetamide IUPAC Name: N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-benzhydrylsulfanyl-N-butylacetamide Traditional Name: N-(6-amino-2,4-diketo-1-propyl-pyrimidin-5-yl)-2-(benzhydrylthio)-N-butyl-acetamide Formula: C26H32N4O3S MolecularWeight: 480.62228

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)CSC(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)CSC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C26H32N4O3S/c1-3-5-17-29(22-24(27)30(16-4-2)26(33)28-25(22)32)21(31)18-34-23(19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,23H,3-5,16-18,27H2,1-2H3,(H,28,32,33)