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

Systemtic Name: 4-[2-azanyl-6-(3,4-dimethoxyphenyl)pteridin-4-yl]-N,N-dimethyl-piperazine-1-carbothioamide Openeye Name: 4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]-N,N-dimethyl-piperazine-1-carbothioamide CAS Name: 4-[2-amino-6-(3,4-dimethoxyphenyl)-4-pteridinyl]-N,N-dimethyl-1-piperazinecarbothioamide IUPAC Name: 4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]-N,N-dimethylpiperazine-1-carbothioamide Traditional Name: 4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]-N,N-dimethyl-piperazine-1-carbothioamide Formula: C21H26N8O2S MolecularWeight: 454.54854

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=S)N1CCN(CC1)C2=NC(=NC3=NC=C(N=C32)C4=CC(=C(C=C4)OC)OC)N

Isomeric SMILES

CN(C)C(=S)N1CCN(CC1)C2=NC(=NC3=NC=C(N=C32)C4=CC(=C(C=C4)OC)OC)N

InChI

InChI=1S/C21H26N8O2S/c1-27(2)21(32)29-9-7-28(8-10-29)19-17-18(25-20(22)26-19)23-12-14(24-17)13-5-6-15(30-3)16(11-13)31-4/h5-6,11-12H,7-10H2,1-4H3,(H2,22,23,25,26)