ethyl 2-azanyl-5-methyl-7-phenyl-3-[(4-piperidin-1-ylsulfonylphenyl)diazenyl]pyrazolo[1,5-a]pyrimidine-6-carboxylate

Systemtic Name: ethyl 2-azanyl-5-methyl-7-phenyl-3-[(4-piperidin-1-ylsulfonylphenyl)diazenyl]pyrazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: ethyl 2-amino-5-methyl-7-phenyl-3-[4-(1-piperidylsulfonyl)phenyl]azo-pyrazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 2-amino-5-methyl-7-phenyl-3-[4-(1-piperidinylsulfonyl)phenyl]azo-6-pyrazolo[1,5-a]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-5-methyl-7-phenyl-3-[(4-piperidin-1-ylsulfonylphenyl)diazenyl]pyrazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 2-amino-5-methyl-7-phenyl-3-(4-piperidinosulfonylphenyl)azo-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester Formula: C27H29N7O4S MolecularWeight: 547.62866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N2C(=C(C(=N2)N)N=NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)N=C1C)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(N2C(=C(C(=N2)N)N=NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)N=C1C)C5=CC=CC=C5

InChI

InChI=1S/C27H29N7O4S/c1-3-38-27(35)22-18(2)29-26-23(25(28)32-34(26)24(22)19-10-6-4-7-11-19)31-30-20-12-14-21(15-13-20)39(36,37)33-16-8-5-9-17-33/h4,6-7,10-15H,3,5,8-9,16-17H2,1-2H3,(H2,28,32)