propyl 5-azanyl-3-bromanyl-1-methyl-2-methylsulfanyl-4-phenyl-2,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: propyl 5-azanyl-3-bromanyl-1-methyl-2-methylsulfanyl-4-phenyl-2,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: propyl 5-amino-3-bromo-1-methyl-2-methylsulfanyl-4-phenyl-2,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-amino-3-bromo-1-methyl-2-(methylthio)-4-phenyl-2,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid propyl ester IUPAC Name: propyl 5-amino-3-bromo-1-methyl-2-methylsulfanyl-4-phenyl-2,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-amino-3-bromo-1-methyl-2-(methylthio)-4-phenyl-2,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid propyl ester Formula: C18H22BrN3O2S2 MolecularWeight: 456.42018

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(C2=C(S1)N(C(N(C2C3=CC=CC=C3)Br)SC)C)N

Isomeric SMILES

CCCOC(=O)C1=C(C2=C(S1)N(C(N(C2C3=CC=CC=C3)Br)SC)C)N

InChI

InChI=1S/C18H22BrN3O2S2/c1-4-10-24-17(23)15-13(20)12-14(11-8-6-5-7-9-11)22(19)18(25-3)21(2)16(12)26-15/h5-9,14,18H,4,10,20H2,1-3H3