3-[5-azanyl-4-(methylamino)-6-morpholin-4-yl-pyrimidin-2-yl]sulfanyl-1-(4-methoxyphenyl)propan-1-one

Systemtic Name: 3-[5-azanyl-4-(methylamino)-6-morpholin-4-yl-pyrimidin-2-yl]sulfanyl-1-(4-methoxyphenyl)propan-1-one Openeye Name: 3-[5-amino-4-(methylamino)-6-morpholino-pyrimidin-2-yl]sulfanyl-1-(4-methoxyphenyl)propan-1-one CAS Name: 3-[[5-amino-4-(methylamino)-6-(4-morpholinyl)-2-pyrimidinyl]thio]-1-(4-methoxyphenyl)-1-propanone IUPAC Name: 3-[5-amino-4-(methylamino)-6-morpholin-4-ylpyrimidin-2-yl]sulfanyl-1-(4-methoxyphenyl)propan-1-one Traditional Name: 3-[[5-amino-4-(methylamino)-6-morpholino-pyrimidin-2-yl]thio]-1-(4-methoxyphenyl)propan-1-one Formula: C19H25N5O3S MolecularWeight: 403.4985

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC(=C1N)N2CCOCC2)SCCC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CNC1=NC(=NC(=C1N)N2CCOCC2)SCCC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C19H25N5O3S/c1-21-17-16(20)18(24-8-10-27-11-9-24)23-19(22-17)28-12-7-15(25)13-3-5-14(26-2)6-4-13/h3-6H,7-12,20H2,1-2H3,(H,21,22,23)