2-methyl-6-[(3S)-1-[[1-(pyridin-3-ylmethyl)pyrrol-2-yl]methyl]piperidin-3-yl]-1H-pyrimidin-4-one

Systemtic Name: 2-methyl-6-[(3S)-1-[[1-(pyridin-3-ylmethyl)pyrrol-2-yl]methyl]piperidin-3-yl]-1H-pyrimidin-4-one Openeye Name: 2-methyl-6-[(3S)-1-[[1-(3-pyridylmethyl)pyrrol-2-yl]methyl]-3-piperidyl]-1H-pyrimidin-4-one CAS Name: 2-methyl-6-[(3S)-1-[[1-(3-pyridinylmethyl)-2-pyrrolyl]methyl]-3-piperidinyl]-1H-pyrimidin-4-one IUPAC Name: 2-methyl-6-[(3S)-1-[[1-(pyridin-3-ylmethyl)pyrrol-2-yl]methyl]piperidin-3-yl]-1H-pyrimidin-4-one Traditional Name: 2-methyl-6-[(3S)-1-[[1-(3-pyridylmethyl)pyrrol-2-yl]methyl]-3-piperidyl]-1H-pyrimidin-4-one Formula: C21H25N5O MolecularWeight: 363.4561

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C=C(N1)C2CCCN(C2)CC3=CC=CN3CC4=CN=CC=C4

Isomeric SMILES

CC1=NC(=O)C=C(N1)[C@H]2CCCN(C2)CC3=CC=CN3CC4=CN=CC=C4

InChI

InChI=1S/C21H25N5O/c1-16-23-20(11-21(27)24-16)18-6-3-9-25(14-18)15-19-7-4-10-26(19)13-17-5-2-8-22-12-17/h2,4-5,7-8,10-12,18H,3,6,9,13-15H2,1H3,(H,23,24,27)/t18-/m0/s1