N-(3-methylphenyl)-6-(4-methylsulfonylpiperazin-1-yl)pyrimido[5,4-d]pyrimidin-4-amine

Systemtic Name: N-(3-methylphenyl)-6-(4-methylsulfonylpiperazin-1-yl)pyrimido[5,4-d]pyrimidin-4-amine Openeye Name: 6-(4-methylsulfonylpiperazin-1-yl)-N-(m-tolyl)pyrimido[5,4-d]pyrimidin-4-amine CAS Name: N-(3-methylphenyl)-6-(4-methylsulfonyl-1-piperazinyl)-4-pyrimido[5,4-d]pyrimidinamine IUPAC Name: N-(3-methylphenyl)-6-(4-methylsulfonylpiperazin-1-yl)pyrimido[5,4-d]pyrimidin-4-amine Traditional Name: [6-(4-mesylpiperazino)pyrimido[5,4-d]pyrimidin-4-yl]-(m-tolyl)amine Formula: C18H21N7O2S MolecularWeight: 399.47004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC=NC3=CN=C(N=C32)N4CCN(CC4)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC=NC3=CN=C(N=C32)N4CCN(CC4)S(=O)(=O)C

InChI

InChI=1S/C18H21N7O2S/c1-13-4-3-5-14(10-13)22-17-16-15(20-12-21-17)11-19-18(23-16)24-6-8-25(9-7-24)28(2,26)27/h3-5,10-12H,6-9H2,1-2H3,(H,20,21,22)