3-[(1,3-dimethyl-7-oxidanylidene-6-prop-2-enyl-pyrazolo[4,3-d]pyrimidin-5-yl)amino]-4-methyl-benzoic acid

Systemtic Name: 3-[(1,3-dimethyl-7-oxidanylidene-6-prop-2-enyl-pyrazolo[4,3-d]pyrimidin-5-yl)amino]-4-methyl-benzoic acid Openeye Name: 3-[(6-allyl-1,3-dimethyl-7-oxo-pyrazolo[4,3-d]pyrimidin-5-yl)amino]-4-methyl-benzoic acid CAS Name: 3-[(1,3-dimethyl-7-oxo-6-prop-2-enyl-5-pyrazolo[4,3-d]pyrimidinyl)amino]-4-methylbenzoic acid IUPAC Name: 3-[(1,3-dimethyl-7-oxo-6-prop-2-enylpyrazolo[4,3-d]pyrimidin-5-yl)amino]-4-methylbenzoic acid Traditional Name: 3-[(6-allyl-7-keto-1,3-dimethyl-pyrazolo[4,3-d]pyrimidin-5-yl)amino]-4-methyl-benzoic acid Formula: C18H19N5O3 MolecularWeight: 353.37516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC2=NC3=C(C(=O)N2CC=C)N(N=C3C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC2=NC3=C(C(=O)N2CC=C)N(N=C3C)C

InChI

InChI=1S/C18H19N5O3/c1-5-8-23-16(24)15-14(11(3)21-22(15)4)20-18(23)19-13-9-12(17(25)26)7-6-10(13)2/h5-7,9H,1,8H2,2-4H3,(H,19,20)(H,25,26)