6-[7-[butyl-[(2,4-dimethoxyphenyl)methyl]amino]-5-propylsulfanyl-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol

Systemtic Name: 6-[7-[butyl-[(2,4-dimethoxyphenyl)methyl]amino]-5-propylsulfanyl-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol Openeye Name: 6-[7-[butyl-[(2,4-dimethoxyphenyl)methyl]amino]-5-propylsulfanyl-triazolo[4,5-d]pyrimidin-3-yl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol CAS Name: 6-[7-[butyl-[(2,4-dimethoxyphenyl)methyl]amino]-5-(propylthio)-3-triazolo[4,5-d]pyrimidinyl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol IUPAC Name: 6-[7-[butyl-[(2,4-dimethoxyphenyl)methyl]amino]-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol Traditional Name: 6-[7-[butyl-(2,4-dimethoxybenzyl)amino]-5-(propylthio)triazolo[4,5-d]pyrimidin-3-yl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol Formula: C28H40N6O5S MolecularWeight: 572.7194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=C(C=C(C=C1)OC)OC)C2=NC(=NC3=C2N=NN3C4CC(C5C4OC(O5)(C)C)O)SCCC

Isomeric SMILES

CCCCN(CC1=C(C=C(C=C1)OC)OC)C2=NC(=NC3=C2N=NN3C4CC(C5C4OC(O5)(C)C)O)SCCC

InChI

InChI=1S/C28H40N6O5S/c1-7-9-12-33(16-17-10-11-18(36-5)14-21(17)37-6)25-22-26(30-27(29-25)40-13-8-2)34(32-31-22)19-15-20(35)24-23(19)38-28(3,4)39-24/h10-11,14,19-20,23-24,35H,7-9,12-13,15-16H2,1-6H3