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

Systemtic Name: 4-[4-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]piperazin-1-yl]benzenecarbonitrile Openeye Name: 4-[4-(2,4-diamino-6-ethyl-pyrimidin-5-yl)piperazin-1-yl]benzonitrile CAS Name: 4-[4-(2,4-diamino-6-ethyl-5-pyrimidinyl)-1-piperazinyl]benzonitrile IUPAC Name: 4-[4-(2,4-diamino-6-ethylpyrimidin-5-yl)piperazin-1-yl]benzonitrile Traditional Name: 4-[4-(2,4-diamino-6-ethyl-pyrimidin-5-yl)piperazino]benzonitrile Formula: C17H21N7 MolecularWeight: 323.39554

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)N)N)N2CCN(CC2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCC1=C(C(=NC(=N1)N)N)N2CCN(CC2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C17H21N7/c1-2-14-15(16(19)22-17(20)21-14)24-9-7-23(8-10-24)13-5-3-12(11-18)4-6-13/h3-6H,2,7-10H2,1H3,(H4,19,20,21,22)