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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N8O3/c1-4-5-8-25-23(32)31-11-9-30(10-12-31)21-19-20(28-22(24)29-21)26-14-16(27-19)15-6-7-17(33-2)18(13-15)34-3/h6-7,13-14H,4-5,8-12H2,1-3H3,(H,25,32)(H2,24,26,28,29)