7-[3-(2,3,4-trimethoxycyclohexa-1,3-dien-1-yl)propyl]purine

Systemtic Name: 7-[3-(2,3,4-trimethoxycyclohexa-1,3-dien-1-yl)propyl]purine Openeye Name: 7-[3-(2,3,4-trimethoxycyclohexa-1,3-dien-1-yl)propyl]purine CAS Name: 7-[3-(2,3,4-trimethoxy-1-cyclohexa-1,3-dienyl)propyl]purine IUPAC Name: 7-[3-(2,3,4-trimethoxycyclohexa-1,3-dien-1-yl)propyl]purine Traditional Name: 7-[3-(2,3,4-trimethoxycyclohexa-1,3-dien-1-yl)propyl]purine Formula: C17H22N4O3 MolecularWeight: 330.38158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(CC1)CCCN2C=NC3=NC=NC=C32)OC)OC

Isomeric SMILES

COC1=C(C(=C(CC1)CCCN2C=NC3=NC=NC=C32)OC)OC

InChI

InChI=1S/C17H22N4O3/c1-22-14-7-6-12(15(23-2)16(14)24-3)5-4-8-21-11-20-17-13(21)9-18-10-19-17/h9-11H,4-8H2,1-3H3