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

Systemtic Name: 4-[2-azanyl-6-(3,4-dimethoxyphenyl)pteridin-4-yl]-N,N-diethyl-piperazine-1-carboxamide Openeye Name: 4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]-N,N-diethyl-piperazine-1-carboxamide CAS Name: 4-[2-amino-6-(3,4-dimethoxyphenyl)-4-pteridinyl]-N,N-diethyl-1-piperazinecarboxamide IUPAC Name: 4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]-N,N-diethylpiperazine-1-carboxamide Traditional Name: 4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]-N,N-diethyl-piperazine-1-carboxamide Formula: C23H30N8O3 MolecularWeight: 466.5361

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)N1CCN(CC1)C2=NC(=NC3=NC=C(N=C32)C4=CC(=C(C=C4)OC)OC)N

Isomeric SMILES

CCN(CC)C(=O)N1CCN(CC1)C2=NC(=NC3=NC=C(N=C32)C4=CC(=C(C=C4)OC)OC)N

InChI

InChI=1S/C23H30N8O3/c1-5-29(6-2)23(32)31-11-9-30(10-12-31)21-19-20(27-22(24)28-21)25-14-16(26-19)15-7-8-17(33-3)18(13-15)34-4/h7-8,13-14H,5-6,9-12H2,1-4H3,(H2,24,25,27,28)