9-(5-chloranyl-2-methoxy-phenyl)-1-methyl-3-prop-2-enyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione

Systemtic Name: 9-(5-chloranyl-2-methoxy-phenyl)-1-methyl-3-prop-2-enyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 3-allyl-9-(5-chloro-2-methoxy-phenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 9-(5-chloro-2-methoxyphenyl)-1-methyl-3-prop-2-enyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 9-(5-chloro-2-methoxyphenyl)-1-methyl-3-prop-2-enyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 3-allyl-9-(5-chloro-2-methoxy-phenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C19H20ClN5O3 MolecularWeight: 401.8468

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC=C)N3CCCN(C3=N2)C4=C(C=CC(=C4)Cl)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC=C)N3CCCN(C3=N2)C4=C(C=CC(=C4)Cl)OC

InChI

InChI=1S/C19H20ClN5O3/c1-4-8-25-17(26)15-16(22(2)19(25)27)21-18-23(9-5-10-24(15)18)13-11-12(20)6-7-14(13)28-3/h4,6-7,11H,1,5,8-10H2,2-3H3