4-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]benzenecarboximidamide hydrate hydrochloride

Systemtic Name: 4-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]benzenecarboximidamide hydrate hydrochloride Openeye Name: 4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)benzamidine hydrate hydrochloride CAS Name: 4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)benzenecarboximidamide hydrate hydrochloride IUPAC Name: 4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)benzenecarboximidamide hydrate hydrochloride Traditional Name: 4-(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)benzamidine hydrate hydrochloride Formula: C14H17ClN6O3 MolecularWeight: 352.77618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=CC=C(C=C3)C(=N)N.O.Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=CC=C(C=C3)C(=N)N.O.Cl

InChI

InChI=1S/C14H14N6O2.ClH.H2O/c1-19-12-9(13(21)20(2)14(19)22)17-11(18-12)8-5-3-7(4-6-8)10(15)16;;/h3-6H,1-2H3,(H3,15,16)(H,17,18);1H;1H2