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

Systemtic Name: 4-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]benzenecarboximidamide hydrate hydrochloride Openeye Name: 4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)benzamidine hydrate hydrochloride CAS Name: 4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)benzenecarboximidamide hydrate hydrochloride IUPAC Name: 4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)benzenecarboximidamide hydrate hydrochloride Traditional Name: 4-(2,6-diketo-1,3-dipropyl-7H-purin-8-yl)benzamidine hydrate hydrochloride Formula: C18H25ClN6O3 MolecularWeight: 408.8825

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)C(=N)N.O.Cl

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)C(=N)N.O.Cl

InChI

InChI=1S/C18H22N6O2.ClH.H2O/c1-3-9-23-16-13(17(25)24(10-4-2)18(23)26)21-15(22-16)12-7-5-11(6-8-12)14(19)20;;/h5-8H,3-4,9-10H2,1-2H3,(H3,19,20)(H,21,22);1H;1H2