(4-methylphenyl) 4-[2-azanyl-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazine-1-carboxylate

Systemtic Name: (4-methylphenyl) 4-[2-azanyl-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazine-1-carboxylate Openeye Name: p-tolyl 4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazine-1-carboxylate CAS Name: 4-[2-amino-6-(3,4-dimethoxyphenyl)-4-pteridinyl]-1-piperazinecarboxylic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazine-1-carboxylic acid p-tolyl ester Formula: C26H27N7O4 MolecularWeight: 501.53708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC(=O)N2CCN(CC2)C3=NC(=NC4=NC=C(N=C43)C5=CC(=C(C=C5)OC)OC)N

Isomeric SMILES

CC1=CC=C(C=C1)OC(=O)N2CCN(CC2)C3=NC(=NC4=NC=C(N=C43)C5=CC(=C(C=C5)OC)OC)N

InChI

InChI=1S/C26H27N7O4/c1-16-4-7-18(8-5-16)37-26(34)33-12-10-32(11-13-33)24-22-23(30-25(27)31-24)28-15-19(29-22)17-6-9-20(35-2)21(14-17)36-3/h4-9,14-15H,10-13H2,1-3H3,(H2,27,28,30,31)