4-[4-(2-azanylpropan-2-yl)phenyl]-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidine-5-carbonitrile

Systemtic Name: 4-[4-(2-azanylpropan-2-yl)phenyl]-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidine-5-carbonitrile Openeye Name: 4-[4-(1-amino-1-methyl-ethyl)phenyl]-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carbonitrile CAS Name: 4-[4-(2-aminopropan-2-yl)phenyl]-2-(3,4,5-trimethoxyanilino)-5-pyrimidinecarbonitrile IUPAC Name: 4-[4-(2-aminopropan-2-yl)phenyl]-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carbonitrile Traditional Name: 4-[4-(1-amino-1-methyl-ethyl)phenyl]-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carbonitrile Formula: C23H25N5O3 MolecularWeight: 419.4763

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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)OC)OC)OC)N

Isomeric SMILES

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

InChI

InChI=1S/C23H25N5O3/c1-23(2,25)16-8-6-14(7-9-16)20-15(12-24)13-26-22(28-20)27-17-10-18(29-3)21(31-5)19(11-17)30-4/h6-11,13H,25H2,1-5H3,(H,26,27,28)