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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-(2-methylpropyl)-1,3-benzothiazole-6-carboxamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-isobutyl-1,3-benzothiazole-6-carboxamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-(2-methylpropyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-1,3-benzothiazole-6-carboxamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-isobutyl-1,3-benzothiazole-6-carboxamide Formula: C20H25N5O3S MolecularWeight: 415.5092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O3S/c1-4-5-8-24-17(21)16(18(26)23-20(24)28)25(10-12(2)3)19(27)13-6-7-14-15(9-13)29-11-22-14/h6-7,9,11-12H,4-5,8,10,21H2,1-3H3,(H,23,26,28)