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

Systemtic Name: 4-[2-azanyl-6-(3,4-dimethoxyphenyl)pteridin-4-yl]-N-methyl-N-(4-methylphenyl)piperazine-1-carboxamide Openeye Name: 4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]-N-methyl-N-(p-tolyl)piperazine-1-carboxamide CAS Name: 4-[2-amino-6-(3,4-dimethoxyphenyl)-4-pteridinyl]-N-methyl-N-(4-methylphenyl)-1-piperazinecarboxamide IUPAC Name: 4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]-N-methyl-N-(4-methylphenyl)piperazine-1-carboxamide Traditional Name: 4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]-N-methyl-N-(p-tolyl)piperazine-1-carboxamide Formula: C27H30N8O3 MolecularWeight: 514.5789

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H30N8O3/c1-17-5-8-19(9-6-17)33(2)27(36)35-13-11-34(12-14-35)25-23-24(31-26(28)32-25)29-16-20(30-23)18-7-10-21(37-3)22(15-18)38-4/h5-10,15-16H,11-14H2,1-4H3,(H2,28,29,31,32)