1-[4-[2-azanyl-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]-2-methoxy-ethanone

Systemtic Name: 1-[4-[2-azanyl-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]-2-methoxy-ethanone Openeye Name: 1-[4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]-2-methoxy-ethanone CAS Name: 1-[4-[2-amino-6-(3,4-dimethoxyphenyl)-4-pteridinyl]-1-piperazinyl]-2-methoxyethanone IUPAC Name: 1-[4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]-2-methoxyethanone Traditional Name: 1-[4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazino]-2-methoxy-ethanone Formula: C21H25N7O4 MolecularWeight: 439.4677

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N7O4/c1-30-12-17(29)27-6-8-28(9-7-27)20-18-19(25-21(22)26-20)23-11-14(24-18)13-4-5-15(31-2)16(10-13)32-3/h4-5,10-11H,6-9,12H2,1-3H3,(H2,22,23,25,26)