2,4-bis(cyclopropylamino)-6-(4-phenylpiperazin-1-yl)pyrimidine-5-carbonitrile

Systemtic Name: 2,4-bis(cyclopropylamino)-6-(4-phenylpiperazin-1-yl)pyrimidine-5-carbonitrile Openeye Name: 2,4-bis(cyclopropylamino)-6-(4-phenylpiperazin-1-yl)pyrimidine-5-carbonitrile CAS Name: 2,4-bis(cyclopropylamino)-6-(4-phenyl-1-piperazinyl)-5-pyrimidinecarbonitrile IUPAC Name: 2,4-bis(cyclopropylamino)-6-(4-phenylpiperazin-1-yl)pyrimidine-5-carbonitrile Traditional Name: 2,4-bis(cyclopropylamino)-6-(4-phenylpiperazino)pyrimidine-5-carbonitrile Formula: C21H25N7 MolecularWeight: 375.4701

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC(=NC(=C2C#N)N3CCN(CC3)C4=CC=CC=C4)NC5CC5

Isomeric SMILES

C1CC1NC2=NC(=NC(=C2C#N)N3CCN(CC3)C4=CC=CC=C4)NC5CC5

InChI

InChI=1S/C21H25N7/c22-14-18-19(23-15-6-7-15)25-21(24-16-8-9-16)26-20(18)28-12-10-27(11-13-28)17-4-2-1-3-5-17/h1-5,15-16H,6-13H2,(H2,23,24,25,26)