ethyl 4-azanyl-2-[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[(1R)-2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[(1R)-2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C17H18N4O5S MolecularWeight: 390.41362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SC(C)C(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)S[C@H](C)C(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H18N4O5S/c1-3-24-16(23)11-7-19-17(21-14(11)18)27-9(2)15(22)20-10-4-5-12-13(6-10)26-8-25-12/h4-7,9H,3,8H2,1-2H3,(H,20,22)(H2,18,19,21)/t9-/m1/s1