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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-(3-methylbutyl)-1,3-benzothiazole-6-carboxamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-isopentyl-1,3-benzothiazole-6-carboxamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-(3-methylbutyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-1,3-benzothiazole-6-carboxamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-isoamyl-1,3-benzothiazole-6-carboxamide Formula: C21H27N5O3S MolecularWeight: 429.53578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CCC(C)C)C(=O)C2=CC3=C(C=C2)N=CS3)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CCC(C)C)C(=O)C2=CC3=C(C=C2)N=CS3)N

InChI

InChI=1S/C21H27N5O3S/c1-4-5-9-26-18(22)17(19(27)24-21(26)29)25(10-8-13(2)3)20(28)14-6-7-15-16(11-14)30-12-23-15/h6-7,11-13H,4-5,8-10,22H2,1-3H3,(H,24,27,29)