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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-3-chloranyl-N-(3-methylbutyl)-1-benzothiophene-2-carboxamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-3-chloro-N-isopentyl-benzothiophene-2-carboxamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-3-chloro-N-(3-methylbutyl)-1-benzothiophene-2-carboxamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-chloro-N-(3-methylbutyl)-1-benzothiophene-2-carboxamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-3-chloro-N-isoamyl-benzothiophene-2-carboxamide Formula: C22H27ClN4O3S MolecularWeight: 462.99278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CCC(C)C)C(=O)C2=C(C3=CC=CC=C3S2)Cl)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CCC(C)C)C(=O)C2=C(C3=CC=CC=C3S2)Cl)N

InChI

InChI=1S/C22H27ClN4O3S/c1-4-5-11-27-19(24)17(20(28)25-22(27)30)26(12-10-13(2)3)21(29)18-16(23)14-8-6-7-9-15(14)31-18/h6-9,13H,4-5,10-12,24H2,1-3H3,(H,25,28,30)