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

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-N-butyl-2-(2-methylsulfonylbenzimidazol-1-yl)ethanamide Openeye Name: N-(6-amino-2,4-dioxo-1-propyl-pyrimidin-5-yl)-N-butyl-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide CAS Name: N-(6-amino-2,4-dioxo-1-propyl-5-pyrimidinyl)-N-butyl-2-(2-methylsulfonyl-1-benzimidazolyl)acetamide IUPAC Name: N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide Traditional Name: N-(6-amino-2,4-diketo-1-propyl-pyrimidin-5-yl)-N-butyl-2-(2-mesylbenzimidazol-1-yl)acetamide Formula: C21H28N6O5S MolecularWeight: 476.54922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)CN2C3=CC=CC=C3N=C2S(=O)(=O)C

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)CN2C3=CC=CC=C3N=C2S(=O)(=O)C

InChI

InChI=1S/C21H28N6O5S/c1-4-6-12-25(17-18(22)26(11-5-2)20(30)24-19(17)29)16(28)13-27-15-10-8-7-9-14(15)23-21(27)33(3,31)32/h7-10H,4-6,11-13,22H2,1-3H3,(H,24,29,30)