N-(4-chlorophenyl)-7-morpholin-4-yl-2-prop-2-enylsulfanyl-pyrimido[4,5-d]pyrimidin-4-amine

Systemtic Name: N-(4-chlorophenyl)-7-morpholin-4-yl-2-prop-2-enylsulfanyl-pyrimido[4,5-d]pyrimidin-4-amine Openeye Name: 2-allylsulfanyl-N-(4-chlorophenyl)-7-morpholino-pyrimido[4,5-d]pyrimidin-4-amine CAS Name: N-(4-chlorophenyl)-7-(4-morpholinyl)-2-(prop-2-enylthio)-4-pyrimido[4,5-d]pyrimidinamine IUPAC Name: N-(4-chlorophenyl)-7-morpholin-4-yl-2-prop-2-enylsulfanylpyrimido[4,5-d]pyrimidin-4-amine Traditional Name: [2-(allylthio)-7-morpholino-pyrimido[4,5-d]pyrimidin-4-yl]-(4-chlorophenyl)amine Formula: C19H19ClN6OS MolecularWeight: 414.91176

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NC2=NC(=NC=C2C(=N1)NC3=CC=C(C=C3)Cl)N4CCOCC4

Isomeric SMILES

C=CCSC1=NC2=NC(=NC=C2C(=N1)NC3=CC=C(C=C3)Cl)N4CCOCC4

InChI

InChI=1S/C19H19ClN6OS/c1-2-11-28-19-24-16(22-14-5-3-13(20)4-6-14)15-12-21-18(23-17(15)25-19)26-7-9-27-10-8-26/h2-6,12H,1,7-11H2,(H,21,22,23,24,25)