2-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]pyrimidine-4,6-diamine

Systemtic Name: 2-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]pyrimidine-4,6-diamine Openeye Name: 2-[(3-morpholinosulfonylphenyl)methylsulfanyl]pyrimidine-4,6-diamine CAS Name: 2-[[3-(4-morpholinylsulfonyl)phenyl]methylthio]pyrimidine-4,6-diamine IUPAC Name: 2-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]pyrimidine-4,6-diamine Traditional Name: [6-amino-2-[(3-morpholinosulfonylbenzyl)thio]pyrimidin-4-yl]amine Formula: C15H19N5O3S2 MolecularWeight: 381.47306

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)CSC3=NC(=CC(=N3)N)N

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)CSC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C15H19N5O3S2/c16-13-9-14(17)19-15(18-13)24-10-11-2-1-3-12(8-11)25(21,22)20-4-6-23-7-5-20/h1-3,8-9H,4-7,10H2,(H4,16,17,18,19)