5-butyl-3-[4-(diethylamino)-2-methyl-phenyl]imino-2-(2-iodanylphenyl)-6-methyl-pyrazolo[1,5-a]pyrimidin-7-one

Systemtic Name: 5-butyl-3-[4-(diethylamino)-2-methyl-phenyl]imino-2-(2-iodanylphenyl)-6-methyl-pyrazolo[1,5-a]pyrimidin-7-one Openeye Name: 5-butyl-3-[4-(diethylamino)-2-methyl-phenyl]imino-2-(2-iodophenyl)-6-methyl-pyrazolo[1,5-a]pyrimidin-7-one CAS Name: 5-butyl-3-[4-(diethylamino)-2-methylphenyl]imino-2-(2-iodophenyl)-6-methyl-7-pyrazolo[1,5-a]pyrimidinone IUPAC Name: 5-butyl-3-[4-(diethylamino)-2-methylphenyl]imino-2-(2-iodophenyl)-6-methylpyrazolo[1,5-a]pyrimidin-7-one Traditional Name: 5-butyl-3-[4-(diethylamino)-2-methyl-phenyl]imino-2-(2-iodophenyl)-6-methyl-pyrazolo[1,5-a]pyrimidin-7-one Formula: C28H32IN5O MolecularWeight: 581.49105

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=O)N2C(=N1)C(=NC3=C(C=C(C=C3)N(CC)CC)C)C(=N2)C4=CC=CC=C4I)C

Isomeric SMILES

CCCCC1=C(C(=O)N2C(=N1)C(=NC3=C(C=C(C=C3)N(CC)CC)C)C(=N2)C4=CC=CC=C4I)C

InChI

InChI=1S/C28H32IN5O/c1-6-9-14-24-19(5)28(35)34-27(31-24)26(25(32-34)21-12-10-11-13-22(21)29)30-23-16-15-20(17-18(23)4)33(7-2)8-3/h10-13,15-17H,6-9,14H2,1-5H3