2-[(3-chlorophenyl)amino]-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

Systemtic Name: 2-[(3-chlorophenyl)amino]-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one Openeye Name: 2-(3-chloroanilino)-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one CAS Name: 2-(3-chloroanilino)-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one IUPAC Name: 2-(3-chloroanilino)-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one Traditional Name: 2-(3-chloroanilino)-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one Formula: C13H12ClN3O MolecularWeight: 261.70688

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(=NC(=NC2=O)NC3=CC(=CC=C3)Cl)C1

Isomeric SMILES

C1CC2C(=NC(=NC2=O)NC3=CC(=CC=C3)Cl)C1

InChI

InChI=1S/C13H12ClN3O/c14-8-3-1-4-9(7-8)15-13-16-11-6-2-5-10(11)12(18)17-13/h1,3-4,7,10H,2,5-6H2,(H,15,17,18)