2-azanyl-5-[3-[[4-(8-chloranyl-7-oxidanylidene-octyl)phenyl]amino]propyl]-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 2-azanyl-5-[3-[[4-(8-chloranyl-7-oxidanylidene-octyl)phenyl]amino]propyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-amino-5-[3-[4-(8-chloro-7-oxo-octyl)anilino]propyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-amino-5-[3-[4-(8-chloro-7-oxooctyl)anilino]propyl]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-amino-5-[3-[4-(8-chloro-7-oxooctyl)anilino]propyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-amino-5-[3-[4-(8-chloro-7-keto-octyl)anilino]propyl]-6-methyl-1H-pyrimidin-4-one Formula: C22H31ClN4O2 MolecularWeight: 418.96014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)N)CCCNC2=CC=C(C=C2)CCCCCCC(=O)CCl

Isomeric SMILES

CC1=C(C(=O)N=C(N1)N)CCCNC2=CC=C(C=C2)CCCCCCC(=O)CCl

InChI

InChI=1S/C22H31ClN4O2/c1-16-20(21(29)27-22(24)26-16)9-6-14-25-18-12-10-17(11-13-18)7-4-2-3-5-8-19(28)15-23/h10-13,25H,2-9,14-15H2,1H3,(H3,24,26,27,29)