N-(3-chlorophenyl)-4-[1-(2-dimethylaminoethyl)indol-4-yl]pyrimidin-2-amine

Systemtic Name: N-(3-chlorophenyl)-4-[1-(2-dimethylaminoethyl)indol-4-yl]pyrimidin-2-amine Openeye Name: N-(3-chlorophenyl)-4-[1-(2-dimethylaminoethyl)indol-4-yl]pyrimidin-2-amine CAS Name: N-(3-chlorophenyl)-4-[1-(2-dimethylaminoethyl)-4-indolyl]-2-pyrimidinamine IUPAC Name: N-(3-chlorophenyl)-4-[1-(2-dimethylaminoethyl)indol-4-yl]pyrimidin-2-amine Traditional Name: 2-[4-[2-(3-chloroanilino)pyrimidin-4-yl]indol-1-yl]ethyl-dimethyl-amine Formula: C22H22ClN5 MolecularWeight: 391.89658

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C=CC2=C(C=CC=C21)C3=NC(=NC=C3)NC4=CC(=CC=C4)Cl

Isomeric SMILES

CN(C)CCN1C=CC2=C(C=CC=C21)C3=NC(=NC=C3)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H22ClN5/c1-27(2)13-14-28-12-10-19-18(7-4-8-21(19)28)20-9-11-24-22(26-20)25-17-6-3-5-16(23)15-17/h3-12,15H,13-14H2,1-2H3,(H,24,25,26)