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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-(4-chlorophenyl)sulfanyl-N-propyl-propanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-2-(4-chlorophenyl)sulfanyl-N-propyl-propanamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-2-[(4-chlorophenyl)thio]-N-propylpropanamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-chlorophenyl)sulfanyl-N-propylpropanamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-2-[(4-chlorophenyl)thio]-N-propyl-propionamide Formula: C20H27ClN4O3S MolecularWeight: 438.97138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CCC)C(=O)C(C)SC2=CC=C(C=C2)Cl)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CCC)C(=O)C(C)SC2=CC=C(C=C2)Cl)N

InChI

InChI=1S/C20H27ClN4O3S/c1-4-6-12-25-17(22)16(18(26)23-20(25)28)24(11-5-2)19(27)13(3)29-15-9-7-14(21)8-10-15/h7-10,13H,4-6,11-12,22H2,1-3H3,(H,23,26,28)