4-[[4-[(3-methylphenyl)amino]pyrimido[5,4-d]pyrimidin-6-yl]amino]piperidine-1-carbaldehyde

Systemtic Name: 4-[[4-[(3-methylphenyl)amino]pyrimido[5,4-d]pyrimidin-6-yl]amino]piperidine-1-carbaldehyde Openeye Name: 4-[[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]piperidine-1-carbaldehyde CAS Name: 4-[[4-(3-methylanilino)-6-pyrimido[5,4-d]pyrimidinyl]amino]-1-piperidinecarboxaldehyde IUPAC Name: 4-[[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]piperidine-1-carbaldehyde Traditional Name: 4-[[4-(m-toluidino)pyrimido[5,4-d]pyrimidin-6-yl]amino]piperidine-1-carbaldehyde Formula: C19H21N7O MolecularWeight: 363.41634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC=NC3=CN=C(N=C32)NC4CCN(CC4)C=O

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC=NC3=CN=C(N=C32)NC4CCN(CC4)C=O

InChI

InChI=1S/C19H21N7O/c1-13-3-2-4-15(9-13)23-18-17-16(21-11-22-18)10-20-19(25-17)24-14-5-7-26(12-27)8-6-14/h2-4,9-12,14H,5-8H2,1H3,(H,20,24,25)(H,21,22,23)