(Z)-3-[2-azanyl-4-oxidanylidene-5-(4-phenylbutyl)-1H-pyrimidin-6-yl]prop-2-enoic acid

Systemtic Name: (Z)-3-[2-azanyl-4-oxidanylidene-5-(4-phenylbutyl)-1H-pyrimidin-6-yl]prop-2-enoic acid Openeye Name: (Z)-3-[2-amino-4-oxo-5-(4-phenylbutyl)-1H-pyrimidin-6-yl]prop-2-enoic acid CAS Name: (Z)-3-[2-amino-4-oxo-5-(4-phenylbutyl)-1H-pyrimidin-6-yl]-2-propenoic acid IUPAC Name: (Z)-3-[2-amino-4-oxo-5-(4-phenylbutyl)-1H-pyrimidin-6-yl]prop-2-enoic acid Traditional Name: (Z)-3-[2-amino-4-keto-5-(4-phenylbutyl)-1H-pyrimidin-6-yl]acrylic acid Formula: C17H19N3O3 MolecularWeight: 313.35106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCC2=C(NC(=NC2=O)N)C=CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCC2=C(NC(=NC2=O)N)/C=C\C(=O)O

InChI

InChI=1S/C17H19N3O3/c18-17-19-14(10-11-15(21)22)13(16(23)20-17)9-5-4-8-12-6-2-1-3-7-12/h1-3,6-7,10-11H,4-5,8-9H2,(H,21,22)(H3,18,19,20,23)/b11-10-