N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-3-(3-oxidanylidene-1,4-benzothiazin-4-yl)-N-pentyl-propanamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-3-(3-oxidanylidene-1,4-benzothiazin-4-yl)-N-pentyl-propanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-3-(3-oxo-1,4-benzothiazin-4-yl)-N-pentyl-propanamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-3-(3-oxo-1,4-benzothiazin-4-yl)-N-pentylpropanamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(3-oxo-1,4-benzothiazin-4-yl)-N-pentylpropanamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-amyl-3-(3-keto-1,4-benzothiazin-4-yl)propionamide Formula: C24H33N5O4S MolecularWeight: 487.61492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)CCN2C(=O)CSC3=CC=CC=C32

Isomeric SMILES

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)CCN2C(=O)CSC3=CC=CC=C32

InChI

InChI=1S/C24H33N5O4S/c1-3-5-9-14-28(21-22(25)29(13-6-4-2)24(33)26-23(21)32)19(30)12-15-27-17-10-7-8-11-18(17)34-16-20(27)31/h7-8,10-11H,3-6,9,12-16,25H2,1-2H3,(H,26,32,33)