2-methylsulfanyl-4-morpholin-4-yl-7-phenyl-5-prop-2-ynoxy-5H-pyrano[4,3-d]pyrimidine

Systemtic Name: 2-methylsulfanyl-4-morpholin-4-yl-7-phenyl-5-prop-2-ynoxy-5H-pyrano[4,3-d]pyrimidine Openeye Name: 2-methylsulfanyl-4-morpholino-7-phenyl-5-prop-2-ynoxy-5H-pyrano[4,3-d]pyrimidine CAS Name: 2-(methylthio)-4-(4-morpholinyl)-7-phenyl-5-prop-2-ynoxy-5H-pyrano[4,3-d]pyrimidine IUPAC Name: 2-methylsulfanyl-4-morpholin-4-yl-7-phenyl-5-prop-2-ynoxy-5H-pyrano[4,3-d]pyrimidine Traditional Name: 2-(methylthio)-4-morpholino-7-phenyl-5-propargyloxy-5H-pyrano[4,3-d]pyrimidine Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C(OC(=C2)C3=CC=CC=C3)OCC#C)C(=N1)N4CCOCC4

Isomeric SMILES

CSC1=NC2=C(C(OC(=C2)C3=CC=CC=C3)OCC#C)C(=N1)N4CCOCC4

InChI

InChI=1S/C21H21N3O3S/c1-3-11-26-20-18-16(14-17(27-20)15-7-5-4-6-8-15)22-21(28-2)23-19(18)24-9-12-25-13-10-24/h1,4-8,14,20H,9-13H2,2H3