8-[(E)-2-(3-methoxyphenyl)ethenyl]-3-(3-oxidanylpropyl)-1-prop-2-ynyl-7H-purine-2,6-dione

Systemtic Name: 8-[(E)-2-(3-methoxyphenyl)ethenyl]-3-(3-oxidanylpropyl)-1-prop-2-ynyl-7H-purine-2,6-dione Openeye Name: 3-(3-hydroxypropyl)-8-[(E)-2-(3-methoxyphenyl)vinyl]-1-prop-2-ynyl-7H-purine-2,6-dione CAS Name: 3-(3-hydroxypropyl)-8-[(E)-2-(3-methoxyphenyl)ethenyl]-1-prop-2-ynyl-7H-purine-2,6-dione IUPAC Name: 3-(3-hydroxypropyl)-8-[(E)-2-(3-methoxyphenyl)ethenyl]-1-prop-2-ynyl-7H-purine-2,6-dione Traditional Name: 3-(3-hydroxypropyl)-8-[(E)-2-(3-methoxyphenyl)vinyl]-1-propargyl-7H-purine-2,6-quinone Formula: C20H20N4O4 MolecularWeight: 380.3972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C=CC2=NC3=C(N2)C(=O)N(C(=O)N3CCCO)CC#C

Isomeric SMILES

COC1=CC=CC(=C1)/C=C/C2=NC3=C(N2)C(=O)N(C(=O)N3CCCO)CC#C

InChI

InChI=1S/C20H20N4O4/c1-3-10-24-19(26)17-18(23(20(24)27)11-5-12-25)22-16(21-17)9-8-14-6-4-7-15(13-14)28-2/h1,4,6-9,13,25H,5,10-12H2,2H3,(H,21,22)/b9-8+