ethyl 4-azanyl-2-[[3-(2-azanyl-2-oxidanylidene-ethyl)-4-oxidanylidene-quinazolin-2-yl]methylsulfanyl]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[[3-(2-azanyl-2-oxidanylidene-ethyl)-4-oxidanylidene-quinazolin-2-yl]methylsulfanyl]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[[3-(2-amino-2-oxo-ethyl)-4-oxo-quinazolin-2-yl]methylsulfanyl]pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[3-(2-amino-2-oxoethyl)-4-oxo-2-quinazolinyl]methylthio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methylsulfanyl]pyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[3-(2-amino-2-keto-ethyl)-4-keto-quinazolin-2-yl]methylthio]pyrimidine-5-carboxylic acid ethyl ester Formula: C18H18N6O4S MolecularWeight: 414.43832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC2=NC3=CC=CC=C3C(=O)N2CC(=O)N

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC2=NC3=CC=CC=C3C(=O)N2CC(=O)N

InChI

InChI=1S/C18H18N6O4S/c1-2-28-17(27)11-7-21-18(23-15(11)20)29-9-14-22-12-6-4-3-5-10(12)16(26)24(14)8-13(19)25/h3-7H,2,8-9H2,1H3,(H2,19,25)(H2,20,21,23)