2-[3-azanyl-4-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]phenyl]ethanoic acid

Systemtic Name: 2-[3-azanyl-4-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]phenyl]ethanoic acid Openeye Name: 2-[3-amino-4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenyl]acetic acid CAS Name: 2-[3-amino-4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenyl]acetic acid IUPAC Name: 2-[3-amino-4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenyl]acetic acid Traditional Name: 2-[3-amino-4-(2,6-diketo-1,3-dipropyl-7H-purin-8-yl)phenyl]acetic acid Formula: C19H23N5O4 MolecularWeight: 385.41702

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=C(C=C(C=C3)CC(=O)O)N

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=C(C=C(C=C3)CC(=O)O)N

InChI

InChI=1S/C19H23N5O4/c1-3-7-23-17-15(18(27)24(8-4-2)19(23)28)21-16(22-17)12-6-5-11(9-13(12)20)10-14(25)26/h5-6,9H,3-4,7-8,10,20H2,1-2H3,(H,21,22)(H,25,26)