3-[(E)-3-chloranylbut-2-enyl]-1-methyl-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione

Systemtic Name: 3-[(E)-3-chloranylbut-2-enyl]-1-methyl-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 3-[(E)-3-chlorobut-2-enyl]-1-methyl-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 3-[(E)-3-chlorobut-2-enyl]-1-methyl-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 3-[(E)-3-chlorobut-2-enyl]-1-methyl-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 3-[(E)-3-chlorobut-2-enyl]-1-methyl-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C19H20ClN5O2 MolecularWeight: 385.8474

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C(=O)C2=C(N=C3N2CCCN3C4=CC=CC=C4)N(C1=O)C)Cl

Isomeric SMILES

C/C(=C\CN1C(=O)C2=C(N=C3N2CCCN3C4=CC=CC=C4)N(C1=O)C)/Cl

InChI

InChI=1S/C19H20ClN5O2/c1-13(20)9-12-25-17(26)15-16(22(2)19(25)27)21-18-23(10-6-11-24(15)18)14-7-4-3-5-8-14/h3-5,7-9H,6,10-12H2,1-2H3/b13-9+