2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-pteridin-2-yl]sulfanyl-N-cyclohexyl-butanamide

Systemtic Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-pteridin-2-yl]sulfanyl-N-cyclohexyl-butanamide Openeye Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-pteridin-2-yl]sulfanyl-N-cyclohexyl-butanamide CAS Name: 2-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-pteridinyl]thio]-N-cyclohexylbutanamide IUPAC Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxopteridin-2-yl]sulfanyl-N-cyclohexylbutanamide Traditional Name: N-cyclohexyl-2-[(4-keto-3-piperonyl-pteridin-2-yl)thio]butyramide Formula: C24H27N5O4S MolecularWeight: 481.56728

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1CCCCC1)SC2=NC3=NC=CN=C3C(=O)N2CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCC(C(=O)NC1CCCCC1)SC2=NC3=NC=CN=C3C(=O)N2CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H27N5O4S/c1-2-19(22(30)27-16-6-4-3-5-7-16)34-24-28-21-20(25-10-11-26-21)23(31)29(24)13-15-8-9-17-18(12-15)33-14-32-17/h8-12,16,19H,2-7,13-14H2,1H3,(H,27,30)