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

Systemtic Name: 6-azanyl-5-[2-(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanylpropanoyl]-1,3-dimethyl-pyrimidine-2,4-dione Openeye Name: 6-amino-5-[2-(3-cyclopentyl-4-oxo-quinazolin-2-yl)sulfanylpropanoyl]-1,3-dimethyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[2-[(3-cyclopentyl-4-oxo-2-quinazolinyl)thio]-1-oxopropyl]-1,3-dimethylpyrimidine-2,4-dione IUPAC Name: 6-amino-5-[2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylpropanoyl]-1,3-dimethylpyrimidine-2,4-dione Traditional Name: 6-amino-5-[2-[(3-cyclopentyl-4-keto-quinazolin-2-yl)thio]propanoyl]-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C22H25N5O4S MolecularWeight: 455.53

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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=CC=CC=C3C(=O)N2C4CCCC4

Isomeric SMILES

CC(C(=O)C1=C(N(C(=O)N(C1=O)C)C)N)SC2=NC3=CC=CC=C3C(=O)N2C4CCCC4

InChI

InChI=1S/C22H25N5O4S/c1-12(17(28)16-18(23)25(2)22(31)26(3)20(16)30)32-21-24-15-11-7-6-10-14(15)19(29)27(21)13-8-4-5-9-13/h6-7,10-13H,4-5,8-9,23H2,1-3H3