3,9-dimethyl-1-phenethyl-7-prop-2-enyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione

Systemtic Name: 3,9-dimethyl-1-phenethyl-7-prop-2-enyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione Openeye Name: 7-allyl-3,9-dimethyl-1-phenethyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione CAS Name: 3,9-dimethyl-1-phenethyl-7-prop-2-enyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione IUPAC Name: 3,9-dimethyl-1-phenethyl-7-prop-2-enyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione Traditional Name: 7-allyl-3,9-dimethyl-1-phenethyl-4H-purino[8,7-c][1,2,4]triazine-6,8-quinone Formula: C20H22N6O2 MolecularWeight: 378.42768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC3=C(N2C1)C(=O)N(C(=O)N3C)CC=C)CCC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C2=NC3=C(N2C1)C(=O)N(C(=O)N3C)CC=C)CCC4=CC=CC=C4

InChI

InChI=1S/C20H22N6O2/c1-4-11-24-18(27)16-17(23(3)20(24)28)21-19-25(16)13-14(2)22-26(19)12-10-15-8-6-5-7-9-15/h4-9H,1,10-13H2,2-3H3