ethyl 4-azanyl-2-(phenanthridin-6-ylmethylsulfanyl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-(phenanthridin-6-ylmethylsulfanyl)pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-(phenanthridin-6-ylmethylsulfanyl)pyrimidine-5-carboxylate CAS Name: 4-amino-2-(6-phenanthridinylmethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-(phenanthridin-6-ylmethylsulfanyl)pyrimidine-5-carboxylate Traditional Name: 4-amino-2-(phenanthridin-6-ylmethylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC2=NC3=CC=CC=C3C4=CC=CC=C42

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC2=NC3=CC=CC=C3C4=CC=CC=C42

InChI

InChI=1S/C21H18N4O2S/c1-2-27-20(26)16-11-23-21(25-19(16)22)28-12-18-15-9-4-3-7-13(15)14-8-5-6-10-17(14)24-18/h3-11H,2,12H2,1H3,(H2,22,23,25)