4-azanyl-2-cyclopentylsulfanyl-8-(phenylmethyl)-5H-pteridine-6,7-dione

Systemtic Name: 4-azanyl-2-cyclopentylsulfanyl-8-(phenylmethyl)-5H-pteridine-6,7-dione Openeye Name: 4-amino-8-benzyl-2-cyclopentylsulfanyl-5H-pteridine-6,7-dione CAS Name: 4-amino-2-(cyclopentylthio)-8-(phenylmethyl)-5H-pteridine-6,7-dione IUPAC Name: 4-amino-8-benzyl-2-cyclopentylsulfanyl-5H-pteridine-6,7-dione Traditional Name: 4-amino-8-benzyl-2-(cyclopentylthio)-5H-pteridine-6,7-quinone Formula: C18H19N5O2S MolecularWeight: 369.44076

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)SC2=NC3=C(C(=N2)N)NC(=O)C(=O)N3CC4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)SC2=NC3=C(C(=N2)N)NC(=O)C(=O)N3CC4=CC=CC=C4

InChI

InChI=1S/C18H19N5O2S/c19-14-13-15(22-18(21-14)26-12-8-4-5-9-12)23(17(25)16(24)20-13)10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H,20,24)(H2,19,21,22)