N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-5-nitro-N-propyl-1-benzothiophene-2-carboxamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-5-nitro-N-propyl-1-benzothiophene-2-carboxamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-5-nitro-N-propyl-benzothiophene-2-carboxamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-5-nitro-N-propyl-1-benzothiophene-2-carboxamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-nitro-N-propyl-1-benzothiophene-2-carboxamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-5-nitro-N-propyl-benzothiophene-2-carboxamide Formula: C20H23N5O5S MolecularWeight: 445.49212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CCC)C(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CCC)C(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])N

InChI

InChI=1S/C20H23N5O5S/c1-3-5-9-24-17(21)16(18(26)22-20(24)28)23(8-4-2)19(27)15-11-12-10-13(25(29)30)6-7-14(12)31-15/h6-7,10-11H,3-5,8-9,21H2,1-2H3,(H,22,26,28)