[4-(2-azanyl-6-chloranyl-pyrimidin-4-yl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone

Systemtic Name: [4-(2-azanyl-6-chloranyl-pyrimidin-4-yl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone Openeye Name: [4-(2-amino-6-chloro-pyrimidin-4-yl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone CAS Name: [4-(2-amino-6-chloro-4-pyrimidinyl)-1-piperazinyl]-(3,5-dimethylphenyl)methanone IUPAC Name: [4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone Traditional Name: [4-(2-amino-6-chloro-pyrimidin-4-yl)piperazino]-(3,5-dimethylphenyl)methanone Formula: C17H20ClN5O MolecularWeight: 345.8266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)N2CCN(CC2)C3=CC(=NC(=N3)N)Cl)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)N2CCN(CC2)C3=CC(=NC(=N3)N)Cl)C

InChI

InChI=1S/C17H20ClN5O/c1-11-7-12(2)9-13(8-11)16(24)23-5-3-22(4-6-23)15-10-14(18)20-17(19)21-15/h7-10H,3-6H2,1-2H3,(H2,19,20,21)