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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-propyl-ethanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-propyl-acetamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-2-[2-[(methylthio)methyl]-1-benzimidazolyl]-N-propylacetamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-propylacetamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-2-[2-[(methylthio)methyl]benzimidazol-1-yl]-N-propyl-acetamide Formula: C22H30N6O3S MolecularWeight: 458.577

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CCC)C(=O)CN2C3=CC=CC=C3N=C2CSC)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CCC)C(=O)CN2C3=CC=CC=C3N=C2CSC)N

InChI

InChI=1S/C22H30N6O3S/c1-4-6-12-27-20(23)19(21(30)25-22(27)31)26(11-5-2)18(29)13-28-16-10-8-7-9-15(16)24-17(28)14-32-3/h7-10H,4-6,11-14,23H2,1-3H3,(H,25,30,31)