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

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-ethyl-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: 2-(1-allylbenzimidazol-2-yl)sulfanyl-N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-ethyl-acetamide CAS Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-N-ethyl-2-[(1-prop-2-enyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: 2-[(1-allylbenzimidazol-2-yl)thio]-N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-N-ethyl-acetamide Formula: C25H26N6O3S MolecularWeight: 490.57734

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CSC3=NC4=CC=CC=C4N3CC=C

Isomeric SMILES

CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CSC3=NC4=CC=CC=C4N3CC=C

InChI

InChI=1S/C25H26N6O3S/c1-3-14-30-19-13-9-8-12-18(19)27-25(30)35-16-20(32)29(4-2)21-22(26)31(24(34)28-23(21)33)15-17-10-6-5-7-11-17/h3,5-13H,1,4,14-16,26H2,2H3,(H,28,33,34)