4-[3-[2,4-bis(azanyl)-5-ethyl-pyrido[2,3-d]pyrimidin-6-yl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]naphthalene-1-carboxylic acid

Systemtic Name: 4-[3-[2,4-bis(azanyl)-5-ethyl-pyrido[2,3-d]pyrimidin-6-yl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]naphthalene-1-carboxylic acid Openeye Name: 4-[1-[(2,4-diamino-5-ethyl-pyrido[2,3-d]pyrimidin-6-yl)methyl]-2-hydroxy-2-oxo-ethyl]naphthalene-1-carboxylic acid CAS Name: 4-[3-(2,4-diamino-5-ethyl-6-pyrido[2,3-d]pyrimidinyl)-1-hydroxy-1-oxopropan-2-yl]-1-naphthalenecarboxylic acid IUPAC Name: 4-[3-(2,4-diamino-5-ethylpyrido[2,3-d]pyrimidin-6-yl)-1-hydroxy-1-oxopropan-2-yl]naphthalene-1-carboxylic acid Traditional Name: 4-[1-[(2,4-diamino-5-ethyl-pyrido[2,3-d]pyrimidin-6-yl)methyl]-2-hydroxy-2-keto-ethyl]-1-naphthoic acid Formula: C23H21N5O4 MolecularWeight: 431.44394

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=NC(=NC2=NC=C1CC(C3=CC=C(C4=CC=CC=C43)C(=O)O)C(=O)O)N)N

Isomeric SMILES

CCC1=C2C(=NC(=NC2=NC=C1CC(C3=CC=C(C4=CC=CC=C43)C(=O)O)C(=O)O)N)N

InChI

InChI=1S/C23H21N5O4/c1-2-12-11(10-26-20-18(12)19(24)27-23(25)28-20)9-17(22(31)32)15-7-8-16(21(29)30)14-6-4-3-5-13(14)15/h3-8,10,17H,2,9H2,1H3,(H,29,30)(H,31,32)(H4,24,25,26,27,28)