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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-3-(3-oxidanylidene-1,4-benzothiazin-4-yl)-N-propyl-propanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-3-(3-oxo-1,4-benzothiazin-4-yl)-N-propyl-propanamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-3-(3-oxo-1,4-benzothiazin-4-yl)-N-propylpropanamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(3-oxo-1,4-benzothiazin-4-yl)-N-propylpropanamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-3-(3-keto-1,4-benzothiazin-4-yl)-N-propyl-propionamide Formula: C22H29N5O4S MolecularWeight: 459.56176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CCC)C(=O)CCN2C(=O)CSC3=CC=CC=C32)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CCC)C(=O)CCN2C(=O)CSC3=CC=CC=C32)N

InChI

InChI=1S/C22H29N5O4S/c1-3-5-12-27-20(23)19(21(30)24-22(27)31)26(11-4-2)17(28)10-13-25-15-8-6-7-9-16(15)32-14-18(25)29/h6-9H,3-5,10-14,23H2,1-2H3,(H,24,30,31)