3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N'-propan-2-yl-propanimidamide hydrochloride

Systemtic Name: 3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N'-propan-2-yl-propanimidamide hydrochloride Openeye Name: 3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N'-isopropyl-propanamidine hydrochloride CAS Name: 3-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N'-propan-2-ylpropanimidamide hydrochloride IUPAC Name: 3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N'-propan-2-ylpropanimidamide hydrochloride Traditional Name: 3-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N'-isopropyl-propionamidine hydrochloride Formula: C13H21ClN6O2 MolecularWeight: 328.79784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N=C(CCN1C=NC2=C1C(=O)N(C(=O)N2C)C)N.Cl

Isomeric SMILES

CC(C)N=C(CCN1C=NC2=C1C(=O)N(C(=O)N2C)C)N.Cl

InChI

InChI=1S/C13H20N6O2.ClH/c1-8(2)16-9(14)5-6-19-7-15-11-10(19)12(20)18(4)13(21)17(11)3;/h7-8H,5-6H2,1-4H3,(H2,14,16);1H