3-(2-chlorophenyl)-1-(1,3-diethoxypropan-2-yl)-7-(1-oxidanylpropan-2-ylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one

Systemtic Name: 3-(2-chlorophenyl)-1-(1,3-diethoxypropan-2-yl)-7-(1-oxidanylpropan-2-ylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 3-(2-chlorophenyl)-1-[2-ethoxy-1-(ethoxymethyl)ethyl]-7-[(2-hydroxy-1-methyl-ethyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 3-(2-chlorophenyl)-1-(1,3-diethoxypropan-2-yl)-7-(1-hydroxypropan-2-ylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 3-(2-chlorophenyl)-1-(1,3-diethoxypropan-2-yl)-7-(1-hydroxypropan-2-ylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 3-(2-chlorophenyl)-1-[2-ethoxy-1-(ethoxymethyl)ethyl]-7-[(2-hydroxy-1-methyl-ethyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C22H30ClN5O4 MolecularWeight: 463.9577

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC(COCC)N1C2=NC(=NC=C2CN(C1=O)C3=CC=CC=C3Cl)NC(C)CO

Isomeric SMILES

CCOCC(COCC)N1C2=NC(=NC=C2CN(C1=O)C3=CC=CC=C3Cl)NC(C)CO

InChI

InChI=1S/C22H30ClN5O4/c1-4-31-13-17(14-32-5-2)28-20-16(10-24-21(26-20)25-15(3)12-29)11-27(22(28)30)19-9-7-6-8-18(19)23/h6-10,15,17,29H,4-5,11-14H2,1-3H3,(H,24,25,26)