4-azanyl-1-[(1R,3R)-3-(2,2-dimethylpropyl)-2,3-dihydro-1H-pentalen-1-yl]pyrimidin-2-one

Systemtic Name: 4-azanyl-1-[(1R,3R)-3-(2,2-dimethylpropyl)-2,3-dihydro-1H-pentalen-1-yl]pyrimidin-2-one Openeye Name: 4-amino-1-[(1R,3R)-3-(2,2-dimethylpropyl)-2,3-dihydro-1H-pentalen-1-yl]pyrimidin-2-one CAS Name: 4-amino-1-[(1R,3R)-3-(2,2-dimethylpropyl)-2,3-dihydro-1H-pentalen-1-yl]-2-pyrimidinone IUPAC Name: 4-amino-1-[(1R,3R)-3-(2,2-dimethylpropyl)-2,3-dihydro-1H-pentalen-1-yl]pyrimidin-2-one Traditional Name: 4-amino-1-[(1R,3R)-3-neopentyl-2,3-dihydro-1H-pentalen-1-yl]pyrimidin-2-one Formula: C17H22N3O MolecularWeight: 284.37608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC1CC([C]2[C]1[CH][CH][CH]2)N3C=CC(=NC3=O)N

Isomeric SMILES

CC(C)(C)C[C@@H]1C[C@H]([C]2[C]1[CH][CH][CH]2)N3C=CC(=NC3=O)N

InChI

InChI=1S/C17H22N3O/c1-17(2,3)10-11-9-14(13-6-4-5-12(11)13)20-8-7-15(18)19-16(20)21/h4-8,11,14H,9-10H2,1-3H3,(H2,18,19,21)/t11-,14+/m0/s1