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

Systemtic Name: 4-[2-azanyl-6-(3,4-dimethoxyphenyl)pteridin-4-yl]-N-(4-methylphenyl)piperazine-1-carboxamide Openeye Name: 4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]-N-(p-tolyl)piperazine-1-carboxamide CAS Name: 4-[2-amino-6-(3,4-dimethoxyphenyl)-4-pteridinyl]-N-(4-methylphenyl)-1-piperazinecarboxamide IUPAC Name: 4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]-N-(4-methylphenyl)piperazine-1-carboxamide Traditional Name: 4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]-N-(p-tolyl)piperazine-1-carboxamide Formula: C26H28N8O3 MolecularWeight: 500.55232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H28N8O3/c1-16-4-7-18(8-5-16)29-26(35)34-12-10-33(11-13-34)24-22-23(31-25(27)32-24)28-15-19(30-22)17-6-9-20(36-2)21(14-17)37-3/h4-9,14-15H,10-13H2,1-3H3,(H,29,35)(H2,27,28,31,32)