4-[4-[2,4-bis(azanyl)-6-methyl-pyrimidin-5-yl]piperazin-1-yl]benzenecarbonitrile

Systemtic Name: 4-[4-[2,4-bis(azanyl)-6-methyl-pyrimidin-5-yl]piperazin-1-yl]benzenecarbonitrile Openeye Name: 4-[4-(2,4-diamino-6-methyl-pyrimidin-5-yl)piperazin-1-yl]benzonitrile CAS Name: 4-[4-(2,4-diamino-6-methyl-5-pyrimidinyl)-1-piperazinyl]benzonitrile IUPAC Name: 4-[4-(2,4-diamino-6-methylpyrimidin-5-yl)piperazin-1-yl]benzonitrile Traditional Name: 4-[4-(2,4-diamino-6-methyl-pyrimidin-5-yl)piperazino]benzonitrile Formula: C16H19N7 MolecularWeight: 309.36896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)N)N)N2CCN(CC2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=C(C(=NC(=N1)N)N)N2CCN(CC2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C16H19N7/c1-11-14(15(18)21-16(19)20-11)23-8-6-22(7-9-23)13-4-2-12(10-17)3-5-13/h2-5H,6-9H2,1H3,(H4,18,19,20,21)