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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-butyl-3-(4-chlorophenyl)sulfanyl-propanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-butyl-3-(4-chlorophenyl)sulfanyl-propanamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-butyl-3-[(4-chlorophenyl)thio]propanamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-(4-chlorophenyl)sulfanylpropanamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-butyl-3-[(4-chlorophenyl)thio]propionamide Formula: C21H29ClN4O3S MolecularWeight: 452.99796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29ClN4O3S/c1-3-5-12-25(17(27)11-14-30-16-9-7-15(22)8-10-16)18-19(23)26(13-6-4-2)21(29)24-20(18)28/h7-10H,3-6,11-14,23H2,1-2H3,(H,24,28,29)