6-chloranyl-9-[2-(1-methylcyclohexa-2,4-dien-1-yl)ethyl]purine

Systemtic Name: 6-chloranyl-9-[2-(1-methylcyclohexa-2,4-dien-1-yl)ethyl]purine Openeye Name: 6-chloro-9-[2-(1-methylcyclohexa-2,4-dien-1-yl)ethyl]purine CAS Name: 6-chloro-9-[2-(1-methyl-1-cyclohexa-2,4-dienyl)ethyl]purine IUPAC Name: 6-chloro-9-[2-(1-methylcyclohexa-2,4-dien-1-yl)ethyl]purine Traditional Name: 6-chloro-9-[2-(1-methylcyclohexa-2,4-dien-1-yl)ethyl]purine Formula: C14H15ClN4 MolecularWeight: 274.7487

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC=CC=C1)CCN2C=NC3=C2N=CN=C3Cl

Isomeric SMILES

CC1(CC=CC=C1)CCN2C=NC3=C2N=CN=C3Cl

InChI

InChI=1S/C14H15ClN4/c1-14(5-3-2-4-6-14)7-8-19-10-18-11-12(15)16-9-17-13(11)19/h2-5,9-10H,6-8H2,1H3