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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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