4-[butyl-[[4-[2-[1-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]phenyl]methyl]amino]pyrimidine-5-carboxylic acid

Systemtic Name: 4-[butyl-[[4-[2-[1-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]phenyl]methyl]amino]pyrimidine-5-carboxylic acid Openeye Name: 4-[butyl-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]amino]pyrimidine-5-carboxylic acid CAS Name: 4-[butyl-[[4-[2-[1-(triphenylmethyl)-5-tetrazolyl]phenyl]phenyl]methyl]amino]-5-pyrimidinecarboxylic acid IUPAC Name: 4-[butyl-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]amino]pyrimidine-5-carboxylic acid Traditional Name: 4-[butyl-[4-[2-(1-trityltetrazol-5-yl)phenyl]benzyl]amino]pyrimidine-5-carboxylic acid Formula: C42H37N7O2 MolecularWeight: 671.78888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NN=NN3C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C7=NC=NC=C7C(=O)O

Isomeric SMILES

CCCCN(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NN=NN3C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C7=NC=NC=C7C(=O)O

InChI

InChI=1S/C42H37N7O2/c1-2-3-27-48(39-38(41(50)51)28-43-30-44-39)29-31-23-25-32(26-24-31)36-21-13-14-22-37(36)40-45-46-47-49(40)42(33-15-7-4-8-16-33,34-17-9-5-10-18-34)35-19-11-6-12-20-35/h4-26,28,30H,2-3,27,29H2,1H3,(H,50,51)