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

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-N-butyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamide Openeye Name: N-(6-amino-2,4-dioxo-1-propyl-pyrimidin-5-yl)-N-butyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide CAS Name: N-(6-amino-2,4-dioxo-1-propyl-5-pyrimidinyl)-N-butyl-2-[(6-methyl-1H-benzimidazol-2-yl)thio]acetamide IUPAC Name: N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide Traditional Name: N-(6-amino-2,4-diketo-1-propyl-pyrimidin-5-yl)-N-butyl-2-[(6-methyl-1H-benzimidazol-2-yl)thio]acetamide Formula: C21H28N6O3S MolecularWeight: 444.55042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)CSC2=NC3=C(N2)C=C(C=C3)C

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)CSC2=NC3=C(N2)C=C(C=C3)C

InChI

InChI=1S/C21H28N6O3S/c1-4-6-10-26(17-18(22)27(9-5-2)21(30)25-19(17)29)16(28)12-31-20-23-14-8-7-13(3)11-15(14)24-20/h7-8,11H,4-6,9-10,12,22H2,1-3H3,(H,23,24)(H,25,29,30)