4-(3-aminophenyl)-9H-pyrimido[4,5-b]indole-6-carbonitrile

Systemtic Name: 4-(3-aminophenyl)-9H-pyrimido[4,5-b]indole-6-carbonitrile Openeye Name: 4-(3-aminophenyl)-9H-pyrimido[4,5-b]indole-6-carbonitrile CAS Name: 4-(3-aminophenyl)-9H-pyrimido[4,5-b]indole-6-carbonitrile IUPAC Name: 4-(3-aminophenyl)-9H-pyrimido[4,5-b]indole-6-carbonitrile Traditional Name: 4-(3-aminophenyl)-9H-pyrimid[4,5-b]indole-6-carbonitrile Formula: C17H11N5 MolecularWeight: 285.30274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11N5/c18-8-10-4-5-14-13(6-10)15-16(20-9-21-17(15)22-14)11-2-1-3-12(19)7-11/h1-7,9H,19H2,(H,20,21,22)