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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-3-(4-chlorophenyl)sulfanyl-N-pentyl-propanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-3-(4-chlorophenyl)sulfanyl-N-pentyl-propanamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-3-[(4-chlorophenyl)thio]-N-pentylpropanamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(4-chlorophenyl)sulfanyl-N-pentylpropanamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-amyl-3-[(4-chlorophenyl)thio]propionamide Formula: C22H31ClN4O3S MolecularWeight: 467.02454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)CCSC2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)CCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C22H31ClN4O3S/c1-3-5-7-14-26(18(28)12-15-31-17-10-8-16(23)9-11-17)19-20(24)27(13-6-4-2)22(30)25-21(19)29/h8-11H,3-7,12-15,24H2,1-2H3,(H,25,29,30)