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

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-N-butyl-2-(1-methylbenzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(6-amino-2,4-dioxo-1-propyl-pyrimidin-5-yl)-N-butyl-2-(1-methylbenzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-(6-amino-2,4-dioxo-1-propyl-5-pyrimidinyl)-N-butyl-2-[(1-methyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-(6-amino-2,4-diketo-1-propyl-pyrimidin-5-yl)-N-butyl-2-[(1-methylbenzimidazol-2-yl)thio]acetamide Formula: C21H28N6O3S MolecularWeight: 444.55042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)CSC2=NC3=CC=CC=C3N2C

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)CSC2=NC3=CC=CC=C3N2C

InChI

InChI=1S/C21H28N6O3S/c1-4-6-12-26(17-18(22)27(11-5-2)20(30)24-19(17)29)16(28)13-31-21-23-14-9-7-8-10-15(14)25(21)3/h7-10H,4-6,11-13,22H2,1-3H3,(H,24,29,30)