3-[1-methyl-7-[(phenylmethyl)amino]-3-propyl-pyrazolo[4,3-d]pyrimidin-5-yl]propanoic acid

Systemtic Name: 3-[1-methyl-7-[(phenylmethyl)amino]-3-propyl-pyrazolo[4,3-d]pyrimidin-5-yl]propanoic acid Openeye Name: 3-[7-(benzylamino)-1-methyl-3-propyl-pyrazolo[4,3-d]pyrimidin-5-yl]propanoic acid CAS Name: 3-[1-methyl-7-[(phenylmethyl)amino]-3-propyl-5-pyrazolo[4,3-d]pyrimidinyl]propanoic acid IUPAC Name: 3-[7-(benzylamino)-1-methyl-3-propylpyrazolo[4,3-d]pyrimidin-5-yl]propanoic acid Traditional Name: 3-[7-(benzylamino)-1-methyl-3-propyl-pyrazolo[4,3-d]pyrimidin-5-yl]propionic acid Formula: C19H23N5O2 MolecularWeight: 353.41822

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2=C1N=C(N=C2NCC3=CC=CC=C3)CCC(=O)O)C

Isomeric SMILES

CCCC1=NN(C2=C1N=C(N=C2NCC3=CC=CC=C3)CCC(=O)O)C

InChI

InChI=1S/C19H23N5O2/c1-3-7-14-17-18(24(2)23-14)19(20-12-13-8-5-4-6-9-13)22-15(21-17)10-11-16(25)26/h4-6,8-9H,3,7,10-12H2,1-2H3,(H,25,26)(H,20,21,22)