1-[2-azanyl-5-[(4-ethylphenyl)methyl]pyrimidin-4-yl]piperidin-3-one

Systemtic Name: 1-[2-azanyl-5-[(4-ethylphenyl)methyl]pyrimidin-4-yl]piperidin-3-one Openeye Name: 1-[2-amino-5-[(4-ethylphenyl)methyl]pyrimidin-4-yl]piperidin-3-one CAS Name: 1-[2-amino-5-[(4-ethylphenyl)methyl]-4-pyrimidinyl]-3-piperidinone IUPAC Name: 1-[2-amino-5-[(4-ethylphenyl)methyl]pyrimidin-4-yl]piperidin-3-one Traditional Name: 1-[2-amino-5-(4-ethylbenzyl)pyrimidin-4-yl]-3-piperidone Formula: C18H22N4O MolecularWeight: 310.39348

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CC2=CN=C(N=C2N3CCCC(=O)C3)N

Isomeric SMILES

CCC1=CC=C(C=C1)CC2=CN=C(N=C2N3CCCC(=O)C3)N

InChI

InChI=1S/C18H22N4O/c1-2-13-5-7-14(8-6-13)10-15-11-20-18(19)21-17(15)22-9-3-4-16(23)12-22/h5-8,11H,2-4,9-10,12H2,1H3,(H2,19,20,21)