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

Systemtic Name: 4-[4-[2-azanyl-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]-4-oxidanylidene-butanamide Openeye Name: 4-[4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]-4-oxo-butanamide CAS Name: 4-[4-[2-amino-6-(3,4-dimethoxyphenyl)-4-pteridinyl]-1-piperazinyl]-4-oxobutanamide IUPAC Name: 4-[4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]-4-oxobutanamide Traditional Name: 4-[4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazino]-4-keto-butyramide Formula: C22H26N8O4 MolecularWeight: 466.49304

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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)CCC(=O)N)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H26N8O4/c1-33-15-4-3-13(11-16(15)34-2)14-12-25-20-19(26-14)21(28-22(24)27-20)30-9-7-29(8-10-30)18(32)6-5-17(23)31/h3-4,11-12H,5-10H2,1-2H3,(H2,23,31)(H2,24,25,27,28)