N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-3-(4-chlorophenyl)sulfanyl-N-propyl-propanamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-3-(4-chlorophenyl)sulfanyl-N-propyl-propanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-3-(4-chlorophenyl)sulfanyl-N-propyl-propanamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-3-[(4-chlorophenyl)thio]-N-propylpropanamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(4-chlorophenyl)sulfanyl-N-propylpropanamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-3-[(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)CCSC2=CC=C(C=C2)Cl)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CCC)C(=O)CCSC2=CC=C(C=C2)Cl)N

InChI

InChI=1S/C20H27ClN4O3S/c1-3-5-12-25-18(22)17(19(27)23-20(25)28)24(11-4-2)16(26)10-13-29-15-8-6-14(21)7-9-15/h6-9H,3-5,10-13,22H2,1-2H3,(H,23,27,28)