1,3-dimethyl-8-oxidanyl-9-(phenylmethyl)-7-prop-2-ynyl-2H-purino[7,8-a]pyrimidine-4,6-dione

Systemtic Name: 1,3-dimethyl-8-oxidanyl-9-(phenylmethyl)-7-prop-2-ynyl-2H-purino[7,8-a]pyrimidine-4,6-dione Openeye Name: 9-benzyl-8-hydroxy-1,3-dimethyl-7-prop-2-ynyl-2H-purino[7,8-a]pyrimidine-4,6-dione CAS Name: 8-hydroxy-1,3-dimethyl-9-(phenylmethyl)-7-prop-2-ynyl-2H-purino[7,8-a]pyrimidine-4,6-dione IUPAC Name: 9-benzyl-8-hydroxy-1,3-dimethyl-7-prop-2-ynyl-2H-purino[7,8-a]pyrimidine-4,6-dione Traditional Name: 9-benzyl-8-hydroxy-1,3-dimethyl-7-propargyl-2H-purino[7,8-a]pyrimidine-4,6-quinone Formula: C20H19N5O3 MolecularWeight: 377.39656

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Descriptors Computed from Structure

Canonical SMILES:

CN1CN(C(=O)C2=C1N=C3N2C(=O)C(=C(N3CC4=CC=CC=C4)O)CC#C)C

Isomeric SMILES

CN1CN(C(=O)C2=C1N=C3N2C(=O)C(=C(N3CC4=CC=CC=C4)O)CC#C)C

InChI

InChI=1S/C20H19N5O3/c1-4-8-14-17(26)24(11-13-9-6-5-7-10-13)20-21-16-15(25(20)18(14)27)19(28)23(3)12-22(16)2/h1,5-7,9-10,26H,8,11-12H2,2-3H3