4-[1,3-benzodioxol-5-yl(propyl)amino]-N-[6-(diethylamino)-2-methyl-4-sulfanylidene-1H-pyrimidin-5-yl]butanamide

Systemtic Name: 4-[1,3-benzodioxol-5-yl(propyl)amino]-N-[6-(diethylamino)-2-methyl-4-sulfanylidene-1H-pyrimidin-5-yl]butanamide Openeye Name: 4-[1,3-benzodioxol-5-yl(propyl)amino]-N-[6-(diethylamino)-2-methyl-4-thioxo-1H-pyrimidin-5-yl]butanamide CAS Name: 4-[1,3-benzodioxol-5-yl(propyl)amino]-N-[6-(diethylamino)-2-methyl-4-sulfanylidene-1H-pyrimidin-5-yl]butanamide IUPAC Name: 4-[1,3-benzodioxol-5-yl(propyl)amino]-N-[6-(diethylamino)-2-methyl-4-sulfanylidene-1H-pyrimidin-5-yl]butanamide Traditional Name: 4-[1,3-benzodioxol-5-yl(propyl)amino]-N-[6-(diethylamino)-2-methyl-4-thioxo-1H-pyrimidin-5-yl]butyramide Formula: C23H33N5O3S MolecularWeight: 459.60482

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCC(=O)NC1=C(NC(=NC1=S)C)N(CC)CC)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCN(CCCC(=O)NC1=C(NC(=NC1=S)C)N(CC)CC)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C23H33N5O3S/c1-5-12-28(17-10-11-18-19(14-17)31-15-30-18)13-8-9-20(29)26-21-22(27(6-2)7-3)24-16(4)25-23(21)32/h10-11,14H,5-9,12-13,15H2,1-4H3,(H,26,29)(H,24,25,32)