3-[(2,6-diethyl-7-oxidanylidene-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanylmethyl]-4-methoxy-benzaldehyde

Systemtic Name: 3-[(2,6-diethyl-7-oxidanylidene-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanylmethyl]-4-methoxy-benzaldehyde Openeye Name: 3-[(2,6-diethyl-7-oxo-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanylmethyl]-4-methoxy-benzaldehyde CAS Name: 3-[[(2,6-diethyl-7-oxo-5-pyrazolo[4,3-d]pyrimidinyl)thio]methyl]-4-methoxybenzaldehyde IUPAC Name: 3-[(2,6-diethyl-7-oxopyrazolo[4,3-d]pyrimidin-5-yl)sulfanylmethyl]-4-methoxybenzaldehyde Traditional Name: 3-[[(2,6-diethyl-7-keto-pyrazolo[4,3-d]pyrimidin-5-yl)thio]methyl]-4-methoxy-benzaldehyde Formula: C18H20N4O3S MolecularWeight: 372.4414

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C2C(=N1)C(=O)N(C(=N2)SCC3=C(C=CC(=C3)C=O)OC)CC

Isomeric SMILES

CCN1C=C2C(=N1)C(=O)N(C(=N2)SCC3=C(C=CC(=C3)C=O)OC)CC

InChI

InChI=1S/C18H20N4O3S/c1-4-21-9-14-16(20-21)17(24)22(5-2)18(19-14)26-11-13-8-12(10-23)6-7-15(13)25-3/h6-10H,4-5,11H2,1-3H3