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

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-methyl-2-(1-methylbenzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-methyl-2-(1-methylbenzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-N-methyl-2-[(1-methyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-N-methyl-2-[(1-methylbenzimidazol-2-yl)thio]acetamide Formula: C22H22N6O3S MolecularWeight: 450.51348

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1SCC(=O)N(C)C3=C(N(C(=O)NC3=O)CC4=CC=CC=C4)N

Isomeric SMILES

CN1C2=CC=CC=C2N=C1SCC(=O)N(C)C3=C(N(C(=O)NC3=O)CC4=CC=CC=C4)N

InChI

InChI=1S/C22H22N6O3S/c1-26-16-11-7-6-10-15(16)24-22(26)32-13-17(29)27(2)18-19(23)28(21(31)25-20(18)30)12-14-8-4-3-5-9-14/h3-11H,12-13,23H2,1-2H3,(H,25,30,31)