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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-(3-methylbutyl)-4-(methylsulfanylmethyl)benzamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-isopentyl-4-(methylsulfanylmethyl)benzamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-(3-methylbutyl)-4-[(methylthio)methyl]benzamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-4-(methylsulfanylmethyl)benzamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-isoamyl-4-[(methylthio)methyl]benzamide 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)C2=CC=C(C=C2)CSC)N

Isomeric SMILES

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

InChI

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