4-azanyl-2-butylsulfanyl-6-morpholin-4-yl-8-(phenylmethyl)pteridin-7-one

Systemtic Name: 4-azanyl-2-butylsulfanyl-6-morpholin-4-yl-8-(phenylmethyl)pteridin-7-one Openeye Name: 4-amino-8-benzyl-2-butylsulfanyl-6-morpholino-pteridin-7-one CAS Name: 4-amino-2-(butylthio)-6-(4-morpholinyl)-8-(phenylmethyl)-7-pteridinone IUPAC Name: 4-amino-8-benzyl-2-butylsulfanyl-6-morpholin-4-ylpteridin-7-one Traditional Name: 4-amino-8-benzyl-2-(butylthio)-6-morpholino-pteridin-7-one Formula: C21H26N6O2S MolecularWeight: 426.53514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C(=N1)N)N=C(C(=O)N2CC3=CC=CC=C3)N4CCOCC4

Isomeric SMILES

CCCCSC1=NC2=C(C(=N1)N)N=C(C(=O)N2CC3=CC=CC=C3)N4CCOCC4

InChI

InChI=1S/C21H26N6O2S/c1-2-3-13-30-21-24-17(22)16-18(25-21)27(14-15-7-5-4-6-8-15)20(28)19(23-16)26-9-11-29-12-10-26/h4-8H,2-3,9-14H2,1H3,(H2,22,24,25)