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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-3-(4-chlorophenyl)sulfanyl-N-methyl-propanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-3-(4-chlorophenyl)sulfanyl-N-methyl-propanamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-3-[(4-chlorophenyl)thio]-N-methylpropanamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(4-chlorophenyl)sulfanyl-N-methylpropanamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-3-[(4-chlorophenyl)thio]-N-methyl-propionamide Formula: C18H23ClN4O3S MolecularWeight: 410.91822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23ClN4O3S/c1-3-4-10-23-16(20)15(17(25)21-18(23)26)22(2)14(24)9-11-27-13-7-5-12(19)6-8-13/h5-8H,3-4,9-11,20H2,1-2H3,(H,21,25,26)