(E)-1-[4-[2-azanyl-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]-3-phenyl-prop-2-en-1-one

Systemtic Name: (E)-1-[4-[2-azanyl-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]-3-phenyl-prop-2-en-1-one Openeye Name: (E)-1-[4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]-3-phenyl-prop-2-en-1-one CAS Name: (E)-1-[4-[2-amino-6-(3,4-dimethoxyphenyl)-4-pteridinyl]-1-piperazinyl]-3-phenyl-2-propen-1-one IUPAC Name: (E)-1-[4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]-3-phenylprop-2-en-1-one Traditional Name: (E)-1-[4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazino]-3-phenyl-prop-2-en-1-one Formula: C27H27N7O3 MolecularWeight: 497.54838

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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=CC=C5)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H27N7O3/c1-36-21-10-9-19(16-22(21)37-2)20-17-29-25-24(30-20)26(32-27(28)31-25)34-14-12-33(13-15-34)23(35)11-8-18-6-4-3-5-7-18/h3-11,16-17H,12-15H2,1-2H3,(H2,28,29,31,32)/b11-8+