7-[(3,4-dichlorophenyl)methylsulfanyl]-3-hexadecoxy-2-methyl-pyrazolo[4,3-d]pyrimidine

Systemtic Name: 7-[(3,4-dichlorophenyl)methylsulfanyl]-3-hexadecoxy-2-methyl-pyrazolo[4,3-d]pyrimidine Openeye Name: 7-[(3,4-dichlorophenyl)methylsulfanyl]-3-hexadecoxy-2-methyl-pyrazolo[4,3-d]pyrimidine CAS Name: 7-[(3,4-dichlorophenyl)methylthio]-3-hexadecoxy-2-methylpyrazolo[4,3-d]pyrimidine IUPAC Name: 7-[(3,4-dichlorophenyl)methylsulfanyl]-3-hexadecoxy-2-methylpyrazolo[4,3-d]pyrimidine Traditional Name: 3-cetyloxy-7-[(3,4-dichlorobenzyl)thio]-2-methyl-pyrazolo[4,3-d]pyrimidine Formula: C29H42Cl2N4OS MolecularWeight: 565.64098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C2C(=NN1C)C(=NC=N2)SCC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C2C(=NN1C)C(=NC=N2)SCC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C29H42Cl2N4OS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-36-29-27-26(34-35(29)2)28(33-22-32-27)37-21-23-17-18-24(30)25(31)20-23/h17-18,20,22H,3-16,19,21H2,1-2H3