1,3-dimethyl-5-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-6-propyl-pyrazolo[4,3-d]pyrimidin-7-one

Systemtic Name: 1,3-dimethyl-5-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-6-propyl-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 1,3-dimethyl-5-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]-6-propyl-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 1,3-dimethyl-5-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-6-propyl-7-pyrazolo[4,3-d]pyrimidinone IUPAC Name: 1,3-dimethyl-5-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-6-propylpyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 1,3-dimethyl-5-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]-6-propyl-pyrazolo[4,3-d]pyrimidin-7-one Formula: C22H31N6O+ MolecularWeight: 395.52114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C(=NN2C)C)N=C1N3CC[NH+](CC3)CC4=CC=CC=C4C

Isomeric SMILES

CCCN1C(=O)C2=C(C(=NN2C)C)N=C1N3CC[NH+](CC3)CC4=CC=CC=C4C

InChI

InChI=1S/C22H30N6O/c1-5-10-28-21(29)20-19(17(3)24-25(20)4)23-22(28)27-13-11-26(12-14-27)15-18-9-7-6-8-16(18)2/h6-9H,5,10-15H2,1-4H3/p+1