5-[cyclohexylmethyl(1,4-dioxan-2-ylmethyl)amino]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one

Systemtic Name: 5-[cyclohexylmethyl(1,4-dioxan-2-ylmethyl)amino]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 5-[cyclohexylmethyl(1,4-dioxan-2-ylmethyl)amino]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-[cyclohexylmethyl(1,4-dioxan-2-ylmethyl)amino]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 5-[cyclohexylmethyl(1,4-dioxan-2-ylmethyl)amino]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-[cyclohexylmethyl(1,4-dioxan-2-ylmethyl)amino]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C21H33N5O3 MolecularWeight: 403.51842

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2=C1NC(=NC2=O)N(CC3CCCCC3)CC4COCCO4)C

Isomeric SMILES

CCCC1=NN(C2=C1NC(=NC2=O)N(CC3CCCCC3)CC4COCCO4)C

InChI

InChI=1S/C21H33N5O3/c1-3-7-17-18-19(25(2)24-17)20(27)23-21(22-18)26(12-15-8-5-4-6-9-15)13-16-14-28-10-11-29-16/h15-16H,3-14H2,1-2H3,(H,22,23,27)