methyl (2E,4E)-2-methyl-5-[9-(oxan-2-yl)purin-6-yl]penta-2,4-dienoate

Systemtic Name: methyl (2E,4E)-2-methyl-5-[9-(oxan-2-yl)purin-6-yl]penta-2,4-dienoate Openeye Name: methyl (2E,4E)-2-methyl-5-(9-tetrahydropyran-2-ylpurin-6-yl)penta-2,4-dienoate CAS Name: (2E,4E)-2-methyl-5-[9-(2-oxanyl)-6-purinyl]penta-2,4-dienoic acid methyl ester IUPAC Name: methyl (2E,4E)-2-methyl-5-[9-(oxan-2-yl)purin-6-yl]penta-2,4-dienoate Traditional Name: (2E,4E)-2-methyl-5-(9-tetrahydropyran-2-ylpurin-6-yl)penta-2,4-dienoic acid methyl ester Formula: C17H20N4O3 MolecularWeight: 328.3657

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC=CC1=C2C(=NC=N1)N(C=N2)C3CCCCO3)C(=O)OC

Isomeric SMILES

C/C(=C\C=C\C1=C2C(=NC=N1)N(C=N2)C3CCCCO3)/C(=O)OC

InChI

InChI=1S/C17H20N4O3/c1-12(17(22)23-2)6-5-7-13-15-16(19-10-18-13)21(11-20-15)14-8-3-4-9-24-14/h5-7,10-11,14H,3-4,8-9H2,1-2H3/b7-5+,12-6+