4-(1H-indol-3-yl)-2-[[4-(1,2,4-triazol-1-yl)phenyl]amino]pyrimidine-5-carbonitrile

Systemtic Name: 4-(1H-indol-3-yl)-2-[[4-(1,2,4-triazol-1-yl)phenyl]amino]pyrimidine-5-carbonitrile Openeye Name: 4-(1H-indol-3-yl)-2-[4-(1,2,4-triazol-1-yl)anilino]pyrimidine-5-carbonitrile CAS Name: 4-(1H-indol-3-yl)-2-[4-(1,2,4-triazol-1-yl)anilino]-5-pyrimidinecarbonitrile IUPAC Name: 4-(1H-indol-3-yl)-2-[4-(1,2,4-triazol-1-yl)anilino]pyrimidine-5-carbonitrile Traditional Name: 4-(1H-indol-3-yl)-2-[4-(1,2,4-triazol-1-yl)anilino]pyrimidine-5-carbonitrile Formula: C21H14N8 MolecularWeight: 378.38946

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)C3=NC(=NC=C3C#N)NC4=CC=C(C=C4)N5C=NC=N5

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C3=NC(=NC=C3C#N)NC4=CC=C(C=C4)N5C=NC=N5

InChI

InChI=1S/C21H14N8/c22-9-14-10-25-21(27-15-5-7-16(8-6-15)29-13-23-12-26-29)28-20(14)18-11-24-19-4-2-1-3-17(18)19/h1-8,10-13,24H,(H,25,27,28)