2-azanyl-4-phenyl-9H-pyrimido[4,5-b]indole-6-carbonitrile

Systemtic Name: 2-azanyl-4-phenyl-9H-pyrimido[4,5-b]indole-6-carbonitrile Openeye Name: 2-amino-4-phenyl-9H-pyrimido[4,5-b]indole-6-carbonitrile CAS Name: 2-amino-4-phenyl-9H-pyrimido[4,5-b]indole-6-carbonitrile IUPAC Name: 2-amino-4-phenyl-9H-pyrimido[4,5-b]indole-6-carbonitrile Traditional Name: 2-amino-4-phenyl-9H-pyrimid[4,5-b]indole-6-carbonitrile Formula: C17H11N5 MolecularWeight: 285.30274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C4=C(C=CC(=C4)C#N)NC3=NC(=N2)N

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C4=C(C=CC(=C4)C#N)NC3=NC(=N2)N

InChI

InChI=1S/C17H11N5/c18-9-10-6-7-13-12(8-10)14-15(11-4-2-1-3-5-11)21-17(19)22-16(14)20-13/h1-8H,(H3,19,20,21,22)