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

Systemtic Name: 4-[4-(diethylaminomethyl)phenyl]-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidine-5-carbonitrile Openeye Name: 4-[4-(diethylaminomethyl)phenyl]-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carbonitrile CAS Name: 4-[4-(diethylaminomethyl)phenyl]-2-(3,4,5-trimethoxyanilino)-5-pyrimidinecarbonitrile IUPAC Name: 4-[4-(diethylaminomethyl)phenyl]-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carbonitrile Traditional Name: 4-[4-(diethylaminomethyl)phenyl]-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carbonitrile Formula: C25H29N5O3 MolecularWeight: 447.52946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC=C(C=C1)C2=NC(=NC=C2C#N)NC3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CCN(CC)CC1=CC=C(C=C1)C2=NC(=NC=C2C#N)NC3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C25H29N5O3/c1-6-30(7-2)16-17-8-10-18(11-9-17)23-19(14-26)15-27-25(29-23)28-20-12-21(31-3)24(33-5)22(13-20)32-4/h8-13,15H,6-7,16H2,1-5H3,(H,27,28,29)