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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-(3-methylbutyl)-2-phenylsulfanyl-propanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-isopentyl-2-phenylsulfanyl-propanamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-(3-methylbutyl)-2-(phenylthio)propanamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-2-phenylsulfanylpropanamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-isoamyl-2-(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)C(C)SC2=CC=CC=C2)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CCC(C)C)C(=O)C(C)SC2=CC=CC=C2)N

InChI

InChI=1S/C22H32N4O3S/c1-5-6-13-26-19(23)18(20(27)24-22(26)29)25(14-12-15(2)3)21(28)16(4)30-17-10-8-7-9-11-17/h7-11,15-16H,5-6,12-14,23H2,1-4H3,(H,24,27,29)