2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate; 3,4-dimethyl-5-phenyl-1,3-thiazolidin-2-imine

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate; 3,4-dimethyl-5-phenyl-1,3-thiazolidin-2-imine Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetate; 3,4-dimethyl-5-phenyl-thiazolidin-2-imine CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)acetate; 3,4-dimethyl-5-phenyl-2-thiazolidinimine IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate; 3,4-dimethyl-5-phenyl-1,3-thiazolidin-2-imine Traditional Name: 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)acetate; (3,4-dimethyl-5-phenyl-thiazolidin-2-ylidene)amine Formula: C20H23N6O4S- MolecularWeight: 443.49942

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(SC(=N)N1C)C2=CC=CC=C2.CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)[O-]

Isomeric SMILES

CC1C(SC(=N)N1C)C2=CC=CC=C2.CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)[O-]

InChI

InChI=1S/C11H14N2S.C9H10N4O4/c1-8-10(14-11(12)13(8)2)9-6-4-3-5-7-9;1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15/h3-8,10,12H,1-2H3;4H,3H2,1-2H3,(H,14,15)/p-1