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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)CCN2C(=O)CSC3=CC=CC=C32

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)CCN2C(=O)CSC3=CC=CC=C32

InChI

InChI=1S/C22H29N5O4S/c1-3-5-12-26(19-20(23)27(11-4-2)22(31)24-21(19)30)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)