9-ethoxy-2-phenyl-4-(2-pyrrolidin-1-ylethylsulfanyl)-5H-chromeno[2,3-d]pyrimidine

Systemtic Name: 9-ethoxy-2-phenyl-4-(2-pyrrolidin-1-ylethylsulfanyl)-5H-chromeno[2,3-d]pyrimidine Openeye Name: 9-ethoxy-2-phenyl-4-(2-pyrrolidin-1-ylethylsulfanyl)-5H-chromeno[2,3-d]pyrimidine CAS Name: 9-ethoxy-2-phenyl-4-[2-(1-pyrrolidinyl)ethylthio]-5H-[1]benzopyrano[2,3-d]pyrimidine IUPAC Name: 9-ethoxy-2-phenyl-4-(2-pyrrolidin-1-ylethylsulfanyl)-5H-chromeno[2,3-d]pyrimidine Traditional Name: 9-ethoxy-2-phenyl-4-(2-pyrrolidinoethylthio)-5H-chromeno[2,3-d]pyrimidine Formula: C25H27N3O2S MolecularWeight: 433.56578

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC2=C1OC3=C(C2)C(=NC(=N3)C4=CC=CC=C4)SCCN5CCCC5

Isomeric SMILES

CCOC1=CC=CC2=C1OC3=C(C2)C(=NC(=N3)C4=CC=CC=C4)SCCN5CCCC5

InChI

InChI=1S/C25H27N3O2S/c1-2-29-21-12-8-11-19-17-20-24(30-22(19)21)26-23(18-9-4-3-5-10-18)27-25(20)31-16-15-28-13-6-7-14-28/h3-5,8-12H,2,6-7,13-17H2,1H3