9-[2,6-bis(azanyl)pyrimidin-4-yl]-3-(2-methylpyrimidin-5-yl)-5-oxidanylidene-nonanoic acid

Systemtic Name: 9-[2,6-bis(azanyl)pyrimidin-4-yl]-3-(2-methylpyrimidin-5-yl)-5-oxidanylidene-nonanoic acid Openeye Name: 9-(2,6-diaminopyrimidin-4-yl)-3-(2-methylpyrimidin-5-yl)-5-oxo-nonanoic acid CAS Name: 9-(2,6-diamino-4-pyrimidinyl)-3-(2-methyl-5-pyrimidinyl)-5-oxononanoic acid IUPAC Name: 9-(2,6-diaminopyrimidin-4-yl)-3-(2-methylpyrimidin-5-yl)-5-oxononanoic acid Traditional Name: 9-(2,6-diaminopyrimidin-4-yl)-5-keto-3-(2-methylpyrimidin-5-yl)pelargonic acid Formula: C18H24N6O3 MolecularWeight: 372.42156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=N1)C(CC(=O)CCCCC2=CC(=NC(=N2)N)N)CC(=O)O

Isomeric SMILES

CC1=NC=C(C=N1)C(CC(=O)CCCCC2=CC(=NC(=N2)N)N)CC(=O)O

InChI

InChI=1S/C18H24N6O3/c1-11-21-9-13(10-22-11)12(7-17(26)27)6-15(25)5-3-2-4-14-8-16(19)24-18(20)23-14/h8-10,12H,2-7H2,1H3,(H,26,27)(H4,19,20,23,24)