[5-azanyl-4-(3-methoxyphenyl)-2-methylsulfanyl-furo[2,3-d]pyrimidin-6-yl]-(azocan-1-yl)methanone

Systemtic Name: [5-azanyl-4-(3-methoxyphenyl)-2-methylsulfanyl-furo[2,3-d]pyrimidin-6-yl]-(azocan-1-yl)methanone Openeye Name: [5-amino-4-(3-methoxyphenyl)-2-methylsulfanyl-furo[2,3-d]pyrimidin-6-yl]-(azocan-1-yl)methanone CAS Name: [5-amino-4-(3-methoxyphenyl)-2-(methylthio)-6-furo[2,3-d]pyrimidinyl]-(1-azocanyl)methanone IUPAC Name: [5-amino-4-(3-methoxyphenyl)-2-methylsulfanylfuro[2,3-d]pyrimidin-6-yl]-(azocan-1-yl)methanone Traditional Name: [5-amino-4-(3-methoxyphenyl)-2-(methylthio)furo[2,3-d]pyrimidin-6-yl]-(azocan-1-yl)methanone Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=C3C(=C(OC3=NC(=N2)SC)C(=O)N4CCCCCCC4)N

Isomeric SMILES

COC1=CC=CC(=C1)C2=C3C(=C(OC3=NC(=N2)SC)C(=O)N4CCCCCCC4)N

InChI

InChI=1S/C22H26N4O3S/c1-28-15-10-8-9-14(13-15)18-16-17(23)19(29-20(16)25-22(24-18)30-2)21(27)26-11-6-4-3-5-7-12-26/h8-10,13H,3-7,11-12,23H2,1-2H3