2-azanyl-5-[(3-methyl-4-propan-2-yloxy-phenyl)methyl]-6-oxidanylidene-1H-pyrimidin-4-olate

Systemtic Name: 2-azanyl-5-[(3-methyl-4-propan-2-yloxy-phenyl)methyl]-6-oxidanylidene-1H-pyrimidin-4-olate Openeye Name: 2-amino-5-[(4-isopropoxy-3-methyl-phenyl)methyl]-6-oxo-1H-pyrimidin-4-olate CAS Name: 2-amino-5-[(3-methyl-4-propan-2-yloxyphenyl)methyl]-6-oxo-1H-pyrimidin-4-olate IUPAC Name: 2-amino-5-[(3-methyl-4-propan-2-yloxyphenyl)methyl]-6-oxo-1H-pyrimidin-4-olate Traditional Name: 2-amino-5-(4-isopropoxy-3-methyl-benzyl)-6-keto-1H-pyrimidin-4-olate Formula: C15H18N3O3- MolecularWeight: 288.32172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CC2=C(N=C(NC2=O)N)[O-])OC(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)CC2=C(N=C(NC2=O)N)[O-])OC(C)C

InChI

InChI=1S/C15H19N3O3/c1-8(2)21-12-5-4-10(6-9(12)3)7-11-13(19)17-15(16)18-14(11)20/h4-6,8H,7H2,1-3H3,(H4,16,17,18,19,20)/p-1