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

Systemtic Name: 5-[7-[(3-methoxyphenyl)methylamino]-1-methyl-3-propyl-pyrazolo[4,3-d]pyrimidin-5-yl]pentanoic acid Openeye Name: 5-[7-[(3-methoxyphenyl)methylamino]-1-methyl-3-propyl-pyrazolo[4,3-d]pyrimidin-5-yl]pentanoic acid CAS Name: 5-[7-[(3-methoxyphenyl)methylamino]-1-methyl-3-propyl-5-pyrazolo[4,3-d]pyrimidinyl]pentanoic acid IUPAC Name: 5-[7-[(3-methoxyphenyl)methylamino]-1-methyl-3-propylpyrazolo[4,3-d]pyrimidin-5-yl]pentanoic acid Traditional Name: 5-[7-(m-anisylamino)-1-methyl-3-propyl-pyrazolo[4,3-d]pyrimidin-5-yl]valeric acid Formula: C22H29N5O3 MolecularWeight: 411.49736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O3/c1-4-8-17-20-21(27(2)26-17)22(23-14-15-9-7-10-16(13-15)30-3)25-18(24-20)11-5-6-12-19(28)29/h7,9-10,13H,4-6,8,11-12,14H2,1-3H3,(H,28,29)(H,23,24,25)