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

Systemtic Name: 4-azanyl-2-butylsulfanyl-6-(2-diethylaminoethylamino)-8-(phenylmethyl)pteridin-7-one Openeye Name: 4-amino-8-benzyl-2-butylsulfanyl-6-(2-diethylaminoethylamino)pteridin-7-one CAS Name: 4-amino-2-(butylthio)-6-(2-diethylaminoethylamino)-8-(phenylmethyl)-7-pteridinone IUPAC Name: 4-amino-8-benzyl-2-butylsulfanyl-6-(2-diethylaminoethylamino)pteridin-7-one Traditional Name: 4-amino-8-benzyl-2-(butylthio)-6-(2-diethylaminoethylamino)pteridin-7-one Formula: C23H33N7OS MolecularWeight: 455.61942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N7OS/c1-4-7-15-32-23-27-19(24)18-21(28-23)30(16-17-11-9-8-10-12-17)22(31)20(26-18)25-13-14-29(5-2)6-3/h8-12H,4-7,13-16H2,1-3H3,(H,25,26)(H2,24,27,28)