1,3-diethyl-4,5-dimethyl-7-phenyl-pyrrolo[3,4-d]pyrimidin-2-one hydrate hydrochloride

Systemtic Name: 1,3-diethyl-4,5-dimethyl-7-phenyl-pyrrolo[3,4-d]pyrimidin-2-one hydrate hydrochloride Openeye Name: 1,3-diethyl-4,5-dimethyl-7-phenyl-pyrrolo[3,4-d]pyrimidin-2-one hydrate hydrochloride CAS Name: 1,3-diethyl-4,5-dimethyl-7-phenyl-2-pyrrolo[3,4-d]pyrimidinone hydrate hydrochloride IUPAC Name: 1,3-diethyl-4,5-dimethyl-7-phenylpyrrolo[3,4-d]pyrimidin-2-one hydrate hydrochloride Traditional Name: 1,3-diethyl-4,5-dimethyl-7-phenyl-pyrrolo[3,4-d]pyrimidin-2-one hydrate hydrochloride Formula: C18H24ClN3O2 MolecularWeight: 349.85506

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C2C(=NC(=C2N(C1=O)CC)C3=CC=CC=C3)C)C.O.Cl

Isomeric SMILES

CCN1C(=C2C(=NC(=C2N(C1=O)CC)C3=CC=CC=C3)C)C.O.Cl

InChI

InChI=1S/C18H21N3O.ClH.H2O/c1-5-20-13(4)15-12(3)19-16(14-10-8-7-9-11-14)17(15)21(6-2)18(20)22;;/h7-11H,5-6H2,1-4H3;1H;1H2