5-(2-chloroethyl)-3,6-dimethyl-2-[(phenylmethyl)amino]pyrimidin-4-one hydrochloride

Systemtic Name: 5-(2-chloroethyl)-3,6-dimethyl-2-[(phenylmethyl)amino]pyrimidin-4-one hydrochloride Openeye Name: 2-(benzylamino)-5-(2-chloroethyl)-3,6-dimethyl-pyrimidin-4-one hydrochloride CAS Name: 5-(2-chloroethyl)-3,6-dimethyl-2-[(phenylmethyl)amino]-4-pyrimidinone hydrochloride IUPAC Name: 2-(benzylamino)-5-(2-chloroethyl)-3,6-dimethylpyrimidin-4-one hydrochloride Traditional Name: 2-(benzylamino)-5-(2-chloroethyl)-3,6-dimethyl-pyrimidin-4-one hydrochloride Formula: C15H19Cl2N3O MolecularWeight: 328.23686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=N1)NCC2=CC=CC=C2)C)CCCl.Cl

Isomeric SMILES

CC1=C(C(=O)N(C(=N1)NCC2=CC=CC=C2)C)CCCl.Cl

InChI

InChI=1S/C15H18ClN3O.ClH/c1-11-13(8-9-16)14(20)19(2)15(18-11)17-10-12-6-4-3-5-7-12;/h3-7H,8-10H2,1-2H3,(H,17,18);1H