methyl 2-[2-(cyclopentylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-[(2R)-2-oxidanylpropyl]quinazoline-7-carboxylate

Systemtic Name: methyl 2-[2-(cyclopentylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-[(2R)-2-oxidanylpropyl]quinazoline-7-carboxylate Openeye Name: methyl 2-[2-(cyclopentylamino)-2-oxo-ethyl]sulfanyl-3-[(2R)-2-hydroxypropyl]-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[[2-(cyclopentylamino)-2-oxoethyl]thio]-3-[(2R)-2-hydroxypropyl]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-3-[(2R)-2-hydroxypropyl]-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[[2-(cyclopentylamino)-2-keto-ethyl]thio]-3-[(2R)-2-hydroxypropyl]-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC(=O)NC3CCCC3)O

Isomeric SMILES

C[C@H](CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC(=O)NC3CCCC3)O

InChI

InChI=1S/C20H25N3O5S/c1-12(24)10-23-18(26)15-8-7-13(19(27)28-2)9-16(15)22-20(23)29-11-17(25)21-14-5-3-4-6-14/h7-9,12,14,24H,3-6,10-11H2,1-2H3,(H,21,25)/t12-/m1/s1