6-azanyl-7-(1,3-benzothiazol-2-yl)-5-(4-methylphenyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile

Systemtic Name: 6-azanyl-7-(1,3-benzothiazol-2-yl)-5-(4-methylphenyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile Openeye Name: 6-amino-7-(1,3-benzothiazol-2-yl)-5-(p-tolyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile CAS Name: 6-amino-7-(1,3-benzothiazol-2-yl)-5-(4-methylphenyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile IUPAC Name: 6-amino-7-(1,3-benzothiazol-2-yl)-5-(4-methylphenyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile Traditional Name: 6-amino-7-(1,3-benzothiazol-2-yl)-5-(p-tolyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile Formula: C22H13N7S MolecularWeight: 407.45052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C3=NC(=C(N=C32)C#N)C#N)C4=NC5=CC=CC=C5S4)N

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C3=NC(=C(N=C32)C#N)C#N)C4=NC5=CC=CC=C5S4)N

InChI

InChI=1S/C22H13N7S/c1-12-6-8-13(9-7-12)29-20(25)18(22-28-14-4-2-3-5-17(14)30-22)19-21(29)27-16(11-24)15(10-23)26-19/h2-9H,25H2,1H3