tributyl-[4-[2-(2,2-dimethylpropanoylamino)-4-oxidanylidene-1H-pteridin-6-yl]-5-ethanoyl-1,3-dithiol-2-yl]phosphanium

Systemtic Name: tributyl-[4-[2-(2,2-dimethylpropanoylamino)-4-oxidanylidene-1H-pteridin-6-yl]-5-ethanoyl-1,3-dithiol-2-yl]phosphanium Openeye Name: [4-acetyl-5-[2-(2,2-dimethylpropanoylamino)-4-oxo-1H-pteridin-6-yl]-1,3-dithiol-2-yl]-tributyl-phosphonium CAS Name: [4-acetyl-5-[2-[(2,2-dimethyl-1-oxopropyl)amino]-4-oxo-1H-pteridin-6-yl]-1,3-dithiol-2-yl]-tributylphosphonium IUPAC Name: [4-acetyl-5-[2-(2,2-dimethylpropanoylamino)-4-oxo-1H-pteridin-6-yl]-1,3-dithiol-2-yl]-tributylphosphanium Traditional Name: [4-acetyl-5-[4-keto-2-(pivaloylamino)-1H-pteridin-6-yl]-1,3-dithiol-2-yl]-tributyl-phosphonium Formula: C28H43N5O3PS2+ MolecularWeight: 592.776481

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[P+](CCCC)(CCCC)C1SC(=C(S1)C(=O)C)C2=CN=C3C(=N2)C(=O)N=C(N3)NC(=O)C(C)(C)C

Isomeric SMILES

CCCC[P+](CCCC)(CCCC)C1SC(=C(S1)C(=O)C)C2=CN=C3C(=N2)C(=O)N=C(N3)NC(=O)C(C)(C)C

InChI

InChI=1S/C28H42N5O3PS2/c1-8-11-14-37(15-12-9-2,16-13-10-3)27-38-21(18(4)34)22(39-27)19-17-29-23-20(30-19)24(35)32-26(31-23)33-25(36)28(5,6)7/h17,27H,8-16H2,1-7H3,(H-,29,31,32,33,34,35,36)/p+1