4-(cyclopropylmethylamino)-2-(2-hydroxyethylamino)-6-(4-phenylpiperazin-1-yl)pyrimidine-5-carbonitrile

Systemtic Name: 4-(cyclopropylmethylamino)-2-(2-hydroxyethylamino)-6-(4-phenylpiperazin-1-yl)pyrimidine-5-carbonitrile Openeye Name: 4-(cyclopropylmethylamino)-2-(2-hydroxyethylamino)-6-(4-phenylpiperazin-1-yl)pyrimidine-5-carbonitrile CAS Name: 4-(cyclopropylmethylamino)-2-(2-hydroxyethylamino)-6-(4-phenyl-1-piperazinyl)-5-pyrimidinecarbonitrile IUPAC Name: 4-(cyclopropylmethylamino)-2-(2-hydroxyethylamino)-6-(4-phenylpiperazin-1-yl)pyrimidine-5-carbonitrile Traditional Name: 4-(cyclopropylmethylamino)-2-(2-hydroxyethylamino)-6-(4-phenylpiperazino)pyrimidine-5-carbonitrile Formula: C21H27N7O MolecularWeight: 393.48538

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CNC2=NC(=NC(=C2C#N)N3CCN(CC3)C4=CC=CC=C4)NCCO

Isomeric SMILES

C1CC1CNC2=NC(=NC(=C2C#N)N3CCN(CC3)C4=CC=CC=C4)NCCO

InChI

InChI=1S/C21H27N7O/c22-14-18-19(24-15-16-6-7-16)25-21(23-8-13-29)26-20(18)28-11-9-27(10-12-28)17-4-2-1-3-5-17/h1-5,16,29H,6-13,15H2,(H2,23,24,25,26)