2-(4-methylphenyl)-4-(3-morpholin-4-ylpropylsulfanyl)-5H-chromeno[2,3-d]pyrimidine

Systemtic Name: 2-(4-methylphenyl)-4-(3-morpholin-4-ylpropylsulfanyl)-5H-chromeno[2,3-d]pyrimidine Openeye Name: 4-(3-morpholinopropylsulfanyl)-2-(p-tolyl)-5H-chromeno[2,3-d]pyrimidine CAS Name: 2-(4-methylphenyl)-4-[3-(4-morpholinyl)propylthio]-5H-[1]benzopyrano[2,3-d]pyrimidine IUPAC Name: 2-(4-methylphenyl)-4-(3-morpholin-4-ylpropylsulfanyl)-5H-chromeno[2,3-d]pyrimidine Traditional Name: 4-(3-morpholinopropylthio)-2-(p-tolyl)-5H-chromeno[2,3-d]pyrimidine Formula: C25H27N3O2S MolecularWeight: 433.56578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(CC4=CC=CC=C4O3)C(=N2)SCCCN5CCOCC5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(CC4=CC=CC=C4O3)C(=N2)SCCCN5CCOCC5

InChI

InChI=1S/C25H27N3O2S/c1-18-7-9-19(10-8-18)23-26-24-21(17-20-5-2-3-6-22(20)30-24)25(27-23)31-16-4-11-28-12-14-29-15-13-28/h2-3,5-10H,4,11-17H2,1H3