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

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-N-butyl-2-(1-ethylbenzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(6-amino-2,4-dioxo-1-propyl-pyrimidin-5-yl)-N-butyl-2-(1-ethylbenzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-(6-amino-2,4-dioxo-1-propyl-5-pyrimidinyl)-N-butyl-2-[(1-ethyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-(6-amino-2,4-diketo-1-propyl-pyrimidin-5-yl)-N-butyl-2-[(1-ethylbenzimidazol-2-yl)thio]acetamide Formula: C22H30N6O3S MolecularWeight: 458.577

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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=C3N2CC

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)CSC2=NC3=CC=CC=C3N2CC

InChI

InChI=1S/C22H30N6O3S/c1-4-7-13-27(18-19(23)28(12-5-2)21(31)25-20(18)30)17(29)14-32-22-24-15-10-8-9-11-16(15)26(22)6-3/h8-11H,4-7,12-14,23H2,1-3H3,(H,25,30,31)