2-azanylidene-3-oxidanyl-6-piperidin-1-yl-pyrimidin-4-amine; 4-dodecoxy-4-oxidanylidene-3-sulfo-butanoate

Systemtic Name: 2-azanylidene-3-oxidanyl-6-piperidin-1-yl-pyrimidin-4-amine; 4-dodecoxy-4-oxidanylidene-3-sulfo-butanoate Openeye Name: 4-dodecoxy-4-oxo-3-sulfo-butanoate; 3-hydroxy-2-imino-6-(1-piperidyl)pyrimidin-4-amine CAS Name: 4-dodecoxy-4-oxo-3-sulfobutanoate; 3-hydroxy-2-imino-6-(1-piperidinyl)-4-pyrimidinamine IUPAC Name: 4-dodecoxy-4-oxo-3-sulfobutanoate; 3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine Traditional Name: (3-hydroxy-2-imino-6-piperidino-pyrimidin-4-yl)amine; 4-keto-4-lauryloxy-3-sulfo-butyrate Formula: C25H44N5O8S- MolecularWeight: 574.71056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C(CC(=O)[O-])S(=O)(=O)O.C1CCN(CC1)C2=NC(=N)N(C(=C2)N)O

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C(CC(=O)[O-])S(=O)(=O)O.C1CCN(CC1)C2=NC(=N)N(C(=C2)N)O

InChI

InChI=1S/C16H30O7S.C9H15N5O/c1-2-3-4-5-6-7-8-9-10-11-12-23-16(19)14(13-15(17)18)24(20,21)22;10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13/h14H,2-13H2,1H3,(H,17,18)(H,20,21,22);6,11,15H,1-5,10H2/p-1