2-(1,3-benzoxazol-2-ylamino)-4-oxidanyl-5-[(2S)-pentan-2-yl]-1H-pyrimidin-6-one

Systemtic Name: 2-(1,3-benzoxazol-2-ylamino)-4-oxidanyl-5-[(2S)-pentan-2-yl]-1H-pyrimidin-6-one Openeye Name: 2-(1,3-benzoxazol-2-ylamino)-4-hydroxy-5-[(1S)-1-methylbutyl]-1H-pyrimidin-6-one CAS Name: 2-(1,3-benzoxazol-2-ylamino)-4-hydroxy-5-[(2S)-pentan-2-yl]-1H-pyrimidin-6-one IUPAC Name: 2-(1,3-benzoxazol-2-ylamino)-4-hydroxy-5-[(2S)-pentan-2-yl]-1H-pyrimidin-6-one Traditional Name: 2-(1,3-benzoxazol-2-ylamino)-4-hydroxy-5-[(1S)-1-methylbutyl]-1H-pyrimidin-6-one Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1=C(N=C(NC1=O)NC2=NC3=CC=CC=C3O2)O

Isomeric SMILES

CCC[C@H](C)C1=C(N=C(NC1=O)NC2=NC3=CC=CC=C3O2)O

InChI

InChI=1S/C16H18N4O3/c1-3-6-9(2)12-13(21)18-15(19-14(12)22)20-16-17-10-7-4-5-8-11(10)23-16/h4-5,7-9H,3,6H2,1-2H3,(H3,17,18,19,20,21,22)/t9-/m0/s1