6-azanyl-5-[2-[7-chloranyl-3-(3-methoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoyl]-1,3-dimethyl-pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-5-[2-[7-chloranyl-3-(3-methoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoyl]-1,3-dimethyl-pyrimidine-2,4-dione Openeye Name: 6-amino-5-[2-[7-chloro-3-(3-methoxypropyl)-4-oxo-quinazolin-2-yl]sulfanylpropanoyl]-1,3-dimethyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[2-[[7-chloro-3-(3-methoxypropyl)-4-oxo-2-quinazolinyl]thio]-1-oxopropyl]-1,3-dimethylpyrimidine-2,4-dione IUPAC Name: 6-amino-5-[2-[7-chloro-3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylpropanoyl]-1,3-dimethylpyrimidine-2,4-dione Traditional Name: 6-amino-5-[2-[[7-chloro-4-keto-3-(3-methoxypropyl)quinazolin-2-yl]thio]propanoyl]-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C21H24ClN5O5S MolecularWeight: 493.96376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=C(N(C(=O)N(C1=O)C)C)N)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCCOC

Isomeric SMILES

CC(C(=O)C1=C(N(C(=O)N(C1=O)C)C)N)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCCOC

InChI

InChI=1S/C21H24ClN5O5S/c1-11(16(28)15-17(23)25(2)21(31)26(3)19(15)30)33-20-24-14-10-12(22)6-7-13(14)18(29)27(20)8-5-9-32-4/h6-7,10-11H,5,8-9,23H2,1-4H3