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

Systemtic Name: 3-azanyl-4-[4-[2-azanyl-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]-4-oxidanylidene-butanamide Openeye Name: 3-amino-4-[4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]-4-oxo-butanamide CAS Name: 3-amino-4-[4-[2-amino-6-(3,4-dimethoxyphenyl)-4-pteridinyl]-1-piperazinyl]-4-oxobutanamide IUPAC Name: 3-amino-4-[4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]-4-oxobutanamide Traditional Name: 3-amino-4-[4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazino]-4-keto-butyramide Formula: C22H27N9O4 MolecularWeight: 481.50768

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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(=O)C(CC(=O)N)N)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H27N9O4/c1-34-15-4-3-12(9-16(15)35-2)14-11-26-19-18(27-14)20(29-22(25)28-19)30-5-7-31(8-6-30)21(33)13(23)10-17(24)32/h3-4,9,11,13H,5-8,10,23H2,1-2H3,(H2,24,32)(H2,25,26,28,29)