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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-(3-methylbutyl)-3-phenylsulfanyl-propanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-isopentyl-3-phenylsulfanyl-propanamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-(3-methylbutyl)-3-(phenylthio)propanamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-3-phenylsulfanylpropanamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-isoamyl-3-(phenylthio)propionamide Formula: C22H32N4O3S MolecularWeight: 432.57948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N4O3S/c1-4-5-13-26-20(23)19(21(28)24-22(26)29)25(14-11-16(2)3)18(27)12-15-30-17-9-7-6-8-10-17/h6-10,16H,4-5,11-15,23H2,1-3H3,(H,24,28,29)