4-(2-piperidin-1-ylethylsulfanyl)-2-(3,4,5-trimethoxyphenyl)-5H-chromeno[2,3-d]pyrimidine

Systemtic Name: 4-(2-piperidin-1-ylethylsulfanyl)-2-(3,4,5-trimethoxyphenyl)-5H-chromeno[2,3-d]pyrimidine Openeye Name: 4-[2-(1-piperidyl)ethylsulfanyl]-2-(3,4,5-trimethoxyphenyl)-5H-chromeno[2,3-d]pyrimidine CAS Name: 4-[2-(1-piperidinyl)ethylthio]-2-(3,4,5-trimethoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidine IUPAC Name: 4-(2-piperidin-1-ylethylsulfanyl)-2-(3,4,5-trimethoxyphenyl)-5H-chromeno[2,3-d]pyrimidine Traditional Name: 4-(2-piperidinoethylthio)-2-(3,4,5-trimethoxyphenyl)-5H-chromeno[2,3-d]pyrimidine Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NC3=C(CC4=CC=CC=C4O3)C(=N2)SCCN5CCCCC5

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NC3=C(CC4=CC=CC=C4O3)C(=N2)SCCN5CCCCC5

InChI

InChI=1S/C27H31N3O4S/c1-31-22-16-19(17-23(32-2)24(22)33-3)25-28-26-20(15-18-9-5-6-10-21(18)34-26)27(29-25)35-14-13-30-11-7-4-8-12-30/h5-6,9-10,16-17H,4,7-8,11-15H2,1-3H3