2-[2,5-dimethyl-3,4-bis[(4-methylpiperazin-1-yl)methyl]pyrrol-1-yl]pyrimidine

Systemtic Name: 2-[2,5-dimethyl-3,4-bis[(4-methylpiperazin-1-yl)methyl]pyrrol-1-yl]pyrimidine Openeye Name: 2-[2,5-dimethyl-3,4-bis[(4-methylpiperazin-1-yl)methyl]pyrrol-1-yl]pyrimidine CAS Name: 2-[2,5-dimethyl-3,4-bis[(4-methyl-1-piperazinyl)methyl]-1-pyrrolyl]pyrimidine IUPAC Name: 2-[2,5-dimethyl-3,4-bis[(4-methylpiperazin-1-yl)methyl]pyrrol-1-yl]pyrimidine Traditional Name: 2-[2,5-dimethyl-3,4-bis[(4-methylpiperazino)methyl]pyrrol-1-yl]pyrimidine Formula: C22H35N7 MolecularWeight: 397.5602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1C2=NC=CC=N2)C)CN3CCN(CC3)C)CN4CCN(CC4)C

Isomeric SMILES

CC1=C(C(=C(N1C2=NC=CC=N2)C)CN3CCN(CC3)C)CN4CCN(CC4)C

InChI

InChI=1S/C22H35N7/c1-18-20(16-27-12-8-25(3)9-13-27)21(17-28-14-10-26(4)11-15-28)19(2)29(18)22-23-6-5-7-24-22/h5-7H,8-17H2,1-4H3