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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=O)CSC2=NC3=CC=CC=C3N2CC)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=O)CSC2=NC3=CC=CC=C3N2CC)N

InChI

InChI=1S/C21H28N6O3S/c1-4-7-12-27-18(22)17(19(29)24-20(27)30)26(6-3)16(28)13-31-21-23-14-10-8-9-11-15(14)25(21)5-2/h8-11H,4-7,12-13,22H2,1-3H3,(H,24,29,30)