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

Systemtic Name: potassium 1,3-dimethyl-8-oxidanyl-9-(phenylmethyl)-7-prop-2-ynyl-purino[7,8-a]pyrimidine-2,4,6-trione Openeye Name: potassium 9-benzyl-8-hydroxy-1,3-dimethyl-7-prop-2-ynyl-purino[7,8-a]pyrimidine-2,4,6-trione CAS Name: potassium 8-hydroxy-1,3-dimethyl-9-(phenylmethyl)-7-prop-2-ynylpurino[7,8-a]pyrimidine-2,4,6-trione IUPAC Name: potassium 9-benzyl-8-hydroxy-1,3-dimethyl-7-prop-2-ynylpurino[7,8-a]pyrimidine-2,4,6-trione Traditional Name: potassium 9-benzyl-8-hydroxy-1,3-dimethyl-7-propargyl-purino[7,8-a]pyrimidine-2,4,6-trione Formula: C20H17KN5O4+ MolecularWeight: 430.47838

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N3C(=O)C(=C(N(C3=N2)CC4=CC=CC=C4)O)CC#C.[K+]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N3C(=O)C(=C(N(C3=N2)CC4=CC=CC=C4)O)CC#C.[K+]

InChI

InChI=1S/C20H17N5O4.K/c1-4-8-13-16(26)24(11-12-9-6-5-7-10-12)19-21-15-14(25(19)17(13)27)18(28)23(3)20(29)22(15)2;/h1,5-7,9-10,26H,8,11H2,2-3H3;/q;+1