4-[4-(2-azanylpropan-2-yl)phenyl]-2-[[4-(2-piperidin-1-ylethyl)phenyl]amino]pyrimidine-5-carbonitrile

Systemtic Name: 4-[4-(2-azanylpropan-2-yl)phenyl]-2-[[4-(2-piperidin-1-ylethyl)phenyl]amino]pyrimidine-5-carbonitrile Openeye Name: 4-[4-(1-amino-1-methyl-ethyl)phenyl]-2-[4-[2-(1-piperidyl)ethyl]anilino]pyrimidine-5-carbonitrile CAS Name: 4-[4-(2-aminopropan-2-yl)phenyl]-2-[4-[2-(1-piperidinyl)ethyl]anilino]-5-pyrimidinecarbonitrile IUPAC Name: 4-[4-(2-aminopropan-2-yl)phenyl]-2-[4-(2-piperidin-1-ylethyl)anilino]pyrimidine-5-carbonitrile Traditional Name: 4-[4-(1-amino-1-methyl-ethyl)phenyl]-2-[4-(2-piperidinoethyl)anilino]pyrimidine-5-carbonitrile Formula: C27H32N6 MolecularWeight: 440.58318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=C(C=C1)C2=NC(=NC=C2C#N)NC3=CC=C(C=C3)CCN4CCCCC4)N

Isomeric SMILES

CC(C)(C1=CC=C(C=C1)C2=NC(=NC=C2C#N)NC3=CC=C(C=C3)CCN4CCCCC4)N

InChI

InChI=1S/C27H32N6/c1-27(2,29)23-10-8-21(9-11-23)25-22(18-28)19-30-26(32-25)31-24-12-6-20(7-13-24)14-17-33-15-4-3-5-16-33/h6-13,19H,3-5,14-17,29H2,1-2H3,(H,30,31,32)