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

Systemtic Name: 4-[2-azanyl-6-(3,4-dimethoxyphenyl)pteridin-4-yl]-N,N-diphenyl-piperazine-1-carboxamide Openeye Name: 4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]-N,N-diphenyl-piperazine-1-carboxamide CAS Name: 4-[2-amino-6-(3,4-dimethoxyphenyl)-4-pteridinyl]-N,N-diphenyl-1-piperazinecarboxamide IUPAC Name: 4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]-N,N-diphenylpiperazine-1-carboxamide Traditional Name: 4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]-N,N-diphenyl-piperazine-1-carboxamide Formula: C31H30N8O3 MolecularWeight: 562.6217

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CN=C3C(=N2)C(=NC(=N3)N)N4CCN(CC4)C(=O)N(C5=CC=CC=C5)C6=CC=CC=C6)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CN=C3C(=N2)C(=NC(=N3)N)N4CCN(CC4)C(=O)N(C5=CC=CC=C5)C6=CC=CC=C6)OC

InChI

InChI=1S/C31H30N8O3/c1-41-25-14-13-21(19-26(25)42-2)24-20-33-28-27(34-24)29(36-30(32)35-28)37-15-17-38(18-16-37)31(40)39(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-14,19-20H,15-18H2,1-2H3,(H2,32,33,35,36)