[4-[2-azanyl-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]-(1H-pyrrol-2-yl)methanone

Systemtic Name: [4-[2-azanyl-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]-(1H-pyrrol-2-yl)methanone Openeye Name: [4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]-(1H-pyrrol-2-yl)methanone CAS Name: [4-[2-amino-6-(3,4-dimethoxyphenyl)-4-pteridinyl]-1-piperazinyl]-(1H-pyrrol-2-yl)methanone IUPAC Name: [4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]-(1H-pyrrol-2-yl)methanone Traditional Name: [4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazino]-(1H-pyrrol-2-yl)methanone Formula: C23H24N8O3 MolecularWeight: 460.48846

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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)C5=CC=CN5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CN=C3C(=N2)C(=NC(=N3)N)N4CCN(CC4)C(=O)C5=CC=CN5)OC

InChI

InChI=1S/C23H24N8O3/c1-33-17-6-5-14(12-18(17)34-2)16-13-26-20-19(27-16)21(29-23(24)28-20)30-8-10-31(11-9-30)22(32)15-4-3-7-25-15/h3-7,12-13,25H,8-11H2,1-2H3,(H2,24,26,28,29)