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

Systemtic Name: 4-[4-[2,4-bis(azanyl)-6-propyl-pyrimidin-5-yl]piperazin-1-yl]benzenecarbonitrile Openeye Name: 4-[4-(2,4-diamino-6-propyl-pyrimidin-5-yl)piperazin-1-yl]benzonitrile CAS Name: 4-[4-(2,4-diamino-6-propyl-5-pyrimidinyl)-1-piperazinyl]benzonitrile IUPAC Name: 4-[4-(2,4-diamino-6-propylpyrimidin-5-yl)piperazin-1-yl]benzonitrile Traditional Name: 4-[4-(2,4-diamino-6-propyl-pyrimidin-5-yl)piperazino]benzonitrile Formula: C18H23N7 MolecularWeight: 337.42212

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=NC(=N1)N)N)N2CCN(CC2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCC1=C(C(=NC(=N1)N)N)N2CCN(CC2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H23N7/c1-2-3-15-16(17(20)23-18(21)22-15)25-10-8-24(9-11-25)14-6-4-13(12-19)5-7-14/h4-7H,2-3,8-11H2,1H3,(H4,20,21,22,23)