2-azanyl-5-[3-[[4-[(E)-4-chloranyl-3-oxidanylidene-but-1-enyl]phenyl]amino]propyl]-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 2-azanyl-5-[3-[[4-[(E)-4-chloranyl-3-oxidanylidene-but-1-enyl]phenyl]amino]propyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-amino-5-[3-[4-[(E)-4-chloro-3-oxo-but-1-enyl]anilino]propyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-amino-5-[3-[4-[(E)-4-chloro-3-oxobut-1-enyl]anilino]propyl]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-amino-5-[3-[4-[(E)-4-chloro-3-oxobut-1-enyl]anilino]propyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-amino-5-[3-[4-[(E)-4-chloro-3-keto-but-1-enyl]anilino]propyl]-6-methyl-1H-pyrimidin-4-one Formula: C18H21ClN4O2 MolecularWeight: 360.83794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN4O2/c1-12-16(17(25)23-18(20)22-12)3-2-10-21-14-7-4-13(5-8-14)6-9-15(24)11-19/h4-9,21H,2-3,10-11H2,1H3,(H3,20,22,23,25)/b9-6+