2-azanyl-1-(3-methylbutyl)-N-(thiophen-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide

Systemtic Name: 2-azanyl-1-(3-methylbutyl)-N-(thiophen-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-1-isopentyl-N-(2-thienylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-1-(3-methylbutyl)-N-(thiophen-2-ylmethyl)-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-1-(3-methylbutyl)-N-(thiophen-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-1-isoamyl-N-(2-thenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)NCC4=CC=CS4)N

Isomeric SMILES

CC(C)CCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)NCC4=CC=CS4)N

InChI

InChI=1S/C21H23N5OS/c1-13(2)9-10-26-19(22)17(21(27)23-12-14-6-5-11-28-14)18-20(26)25-16-8-4-3-7-15(16)24-18/h3-8,11,13H,9-10,12,22H2,1-2H3,(H,23,27)