O-phenyl 4-[2-azanyl-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazine-1-carbothioate

Systemtic Name: O-phenyl 4-[2-azanyl-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazine-1-carbothioate Openeye Name: O-phenyl 4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazine-1-carbothioate CAS Name: 4-[2-amino-6-(3,4-dimethoxyphenyl)-4-pteridinyl]-1-piperazinecarbothioic acid O-phenyl ester IUPAC Name: O-phenyl 4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazine-1-carbothioate Traditional Name: 4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazine-1-carbothioic acid O-phenyl ester Formula: C25H25N7O3S MolecularWeight: 503.5761

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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(=S)OC5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CN=C3C(=N2)C(=NC(=N3)N)N4CCN(CC4)C(=S)OC5=CC=CC=C5)OC

InChI

InChI=1S/C25H25N7O3S/c1-33-19-9-8-16(14-20(19)34-2)18-15-27-22-21(28-18)23(30-24(26)29-22)31-10-12-32(13-11-31)25(36)35-17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3,(H2,26,27,29,30)