butyl 2-(3-hexadecoxy-2-methyl-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanylethanoate

Systemtic Name: butyl 2-(3-hexadecoxy-2-methyl-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanylethanoate Openeye Name: butyl 2-(3-hexadecoxy-2-methyl-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanylacetate CAS Name: 2-[(3-hexadecoxy-2-methyl-7-pyrazolo[4,3-d]pyrimidinyl)thio]acetic acid butyl ester IUPAC Name: butyl 2-(3-hexadecoxy-2-methylpyrazolo[4,3-d]pyrimidin-7-yl)sulfanylacetate Traditional Name: 2-[(3-cetyloxy-2-methyl-pyrazolo[4,3-d]pyrimidin-7-yl)thio]acetic acid butyl ester Formula: C28H48N4O3S MolecularWeight: 520.77072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C2C(=NN1C)C(=NC=N2)SCC(=O)OCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C2C(=NN1C)C(=NC=N2)SCC(=O)OCCCC

InChI

InChI=1S/C28H48N4O3S/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-21-35-28-26-25(31-32(28)3)27(30-23-29-26)36-22-24(33)34-20-7-5-2/h23H,4-22H2,1-3H3