2-azanyl-1-[4-[2-azanyl-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]-3-(4-hydroxyphenyl)propan-1-one

Systemtic Name: 2-azanyl-1-[4-[2-azanyl-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]-3-(4-hydroxyphenyl)propan-1-one Openeye Name: 2-amino-1-[4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]-3-(4-hydroxyphenyl)propan-1-one CAS Name: 2-amino-1-[4-[2-amino-6-(3,4-dimethoxyphenyl)-4-pteridinyl]-1-piperazinyl]-3-(4-hydroxyphenyl)-1-propanone IUPAC Name: 2-amino-1-[4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]-3-(4-hydroxyphenyl)propan-1-one Traditional Name: 2-amino-1-[4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazino]-3-(4-hydroxyphenyl)propan-1-one Formula: C27H30N8O4 MolecularWeight: 530.5783

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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(CC5=CC=C(C=C5)O)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CN=C3C(=N2)C(=NC(=N3)N)N4CCN(CC4)C(=O)C(CC5=CC=C(C=C5)O)N)OC

InChI

InChI=1S/C27H30N8O4/c1-38-21-8-5-17(14-22(21)39-2)20-15-30-24-23(31-20)25(33-27(29)32-24)34-9-11-35(12-10-34)26(37)19(28)13-16-3-6-18(36)7-4-16/h3-8,14-15,19,36H,9-13,28H2,1-2H3,(H2,29,30,32,33)