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

Systemtic Name: 5-[1-methyl-7-[(phenylmethyl)amino]-3-propyl-pyrazolo[4,3-d]pyrimidin-5-yl]pentanoic acid Openeye Name: 5-[7-(benzylamino)-1-methyl-3-propyl-pyrazolo[4,3-d]pyrimidin-5-yl]pentanoic acid CAS Name: 5-[1-methyl-7-[(phenylmethyl)amino]-3-propyl-5-pyrazolo[4,3-d]pyrimidinyl]pentanoic acid IUPAC Name: 5-[7-(benzylamino)-1-methyl-3-propylpyrazolo[4,3-d]pyrimidin-5-yl]pentanoic acid Traditional Name: 5-[7-(benzylamino)-1-methyl-3-propyl-pyrazolo[4,3-d]pyrimidin-5-yl]valeric acid Formula: C21H27N5O2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O2/c1-3-9-16-19-20(26(2)25-16)21(22-14-15-10-5-4-6-11-15)24-17(23-19)12-7-8-13-18(27)28/h4-6,10-11H,3,7-9,12-14H2,1-2H3,(H,27,28)(H,22,23,24)