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

Systemtic Name: 4-[1-methyl-7-[(phenylmethyl)amino]-3-propyl-pyrazolo[4,3-d]pyrimidin-5-yl]butanoic acid Openeye Name: 4-[7-(benzylamino)-1-methyl-3-propyl-pyrazolo[4,3-d]pyrimidin-5-yl]butanoic acid CAS Name: 4-[1-methyl-7-[(phenylmethyl)amino]-3-propyl-5-pyrazolo[4,3-d]pyrimidinyl]butanoic acid IUPAC Name: 4-[7-(benzylamino)-1-methyl-3-propylpyrazolo[4,3-d]pyrimidin-5-yl]butanoic acid Traditional Name: 4-[7-(benzylamino)-1-methyl-3-propyl-pyrazolo[4,3-d]pyrimidin-5-yl]butyric acid Formula: C20H25N5O2 MolecularWeight: 367.4448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O2/c1-3-8-15-18-19(25(2)24-15)20(21-13-14-9-5-4-6-10-14)23-16(22-18)11-7-12-17(26)27/h4-6,9-10H,3,7-8,11-13H2,1-2H3,(H,26,27)(H,21,22,23)