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

Systemtic Name: 5-tert-butyl-3-[4-(diethylamino)-2-methyl-phenyl]imino-6-heptyl-2-propan-2-yl-pyrazolo[1,5-a]pyrimidin-7-one Openeye Name: 5-tert-butyl-3-[4-(diethylamino)-2-methyl-phenyl]imino-6-heptyl-2-isopropyl-pyrazolo[1,5-a]pyrimidin-7-one CAS Name: 5-tert-butyl-3-[4-(diethylamino)-2-methylphenyl]imino-6-heptyl-2-propan-2-yl-7-pyrazolo[1,5-a]pyrimidinone IUPAC Name: 5-tert-butyl-3-[4-(diethylamino)-2-methylphenyl]imino-6-heptyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one Traditional Name: 5-tert-butyl-3-[4-(diethylamino)-2-methyl-phenyl]imino-6-heptyl-2-isopropyl-pyrazolo[1,5-a]pyrimidin-7-one Formula: C31H47N5O MolecularWeight: 505.73778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(N=C2C(=NC3=C(C=C(C=C3)N(CC)CC)C)C(=NN2C1=O)C(C)C)C(C)(C)C

Isomeric SMILES

CCCCCCCC1=C(N=C2C(=NC3=C(C=C(C=C3)N(CC)CC)C)C(=NN2C1=O)C(C)C)C(C)(C)C

InChI

InChI=1S/C31H47N5O/c1-10-13-14-15-16-17-24-28(31(7,8)9)33-29-27(26(21(4)5)34-36(29)30(24)37)32-25-19-18-23(20-22(25)6)35(11-2)12-3/h18-21H,10-17H2,1-9H3