O-propan-2-yl [2-[2-[(E)-dimethylaminomethylideneamino]-3-methyl-4-oxidanylidene-pteridin-6-yl]-2-oxidanylidene-ethyl]sulfanylmethanethioate

Systemtic Name: O-propan-2-yl [2-[2-[(E)-dimethylaminomethylideneamino]-3-methyl-4-oxidanylidene-pteridin-6-yl]-2-oxidanylidene-ethyl]sulfanylmethanethioate Openeye Name: O-isopropyl [2-[2-[(E)-dimethylaminomethyleneamino]-3-methyl-4-oxo-pteridin-6-yl]-2-oxo-ethyl]sulfanylmethanethioate CAS Name: [[2-[2-[(E)-dimethylaminomethylideneamino]-3-methyl-4-oxo-6-pteridinyl]-2-oxoethyl]thio]methanethioic acid O-propan-2-yl ester IUPAC Name: O-propan-2-yl [2-[2-[(E)-dimethylaminomethylideneamino]-3-methyl-4-oxopteridin-6-yl]-2-oxoethyl]sulfanylmethanethioate Traditional Name: [[2-[2-[(E)-dimethylaminomethyleneamino]-4-keto-3-methyl-pteridin-6-yl]-2-keto-ethyl]thio]methanethioic acid O-isopropyl ester Formula: C16H20N6O3S2 MolecularWeight: 408.4984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=S)SCC(=O)C1=CN=C2C(=N1)C(=O)N(C(=N2)N=CN(C)C)C

Isomeric SMILES

CC(C)OC(=S)SCC(=O)C1=CN=C2C(=N1)C(=O)N(C(=N2)/N=C/N(C)C)C

InChI

InChI=1S/C16H20N6O3S2/c1-9(2)25-16(26)27-7-11(23)10-6-17-13-12(19-10)14(24)22(5)15(20-13)18-8-21(3)4/h6,8-9H,7H2,1-5H3/b18-8+