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

Systemtic Name: N-[3-[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-butyl-amino]-3-oxidanylidene-propyl]-4-chloranyl-benzamide Openeye Name: N-[3-[(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-butyl-amino]-3-oxo-propyl]-4-chloro-benzamide CAS Name: N-[3-[(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-butylamino]-3-oxopropyl]-4-chlorobenzamide IUPAC Name: N-[3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-butylamino]-3-oxopropyl]-4-chlorobenzamide Traditional Name: N-[3-[(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-butyl-amino]-3-keto-propyl]-4-chloro-benzamide Formula: C22H30ClN5O4 MolecularWeight: 463.9577

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CCCC)C(=O)CCNC(=O)C2=CC=C(C=C2)Cl)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CCCC)C(=O)CCNC(=O)C2=CC=C(C=C2)Cl)N

InChI

InChI=1S/C22H30ClN5O4/c1-3-5-13-27(18-19(24)28(14-6-4-2)22(32)26-21(18)31)17(29)11-12-25-20(30)15-7-9-16(23)10-8-15/h7-10H,3-6,11-14,24H2,1-2H3,(H,25,30)(H,26,31,32)