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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-(2,5-dimethylphenyl)sulfanyl-N-propyl-ethanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-2-(2,5-dimethylphenyl)sulfanyl-N-propyl-acetamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-2-[(2,5-dimethylphenyl)thio]-N-propylacetamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2,5-dimethylphenyl)sulfanyl-N-propylacetamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-2-[(2,5-dimethylphenyl)thio]-N-propyl-acetamide Formula: C21H30N4O3S MolecularWeight: 418.5529

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CCC)C(=O)CSC2=C(C=CC(=C2)C)C)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CCC)C(=O)CSC2=C(C=CC(=C2)C)C)N

InChI

InChI=1S/C21H30N4O3S/c1-5-7-11-25-19(22)18(20(27)23-21(25)28)24(10-6-2)17(26)13-29-16-12-14(3)8-9-15(16)4/h8-9,12H,5-7,10-11,13,22H2,1-4H3,(H,23,27,28)