2-[4-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]-4-(3-methylphenoxy)pyrimidine

Systemtic Name: 2-[4-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]-4-(3-methylphenoxy)pyrimidine Openeye Name: 2-[4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]-4-(3-methylphenoxy)pyrimidine CAS Name: 2-[4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1-piperazinyl]-4-(3-methylphenoxy)pyrimidine IUPAC Name: 2-[4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]-4-(3-methylphenoxy)pyrimidine Traditional Name: 2-[4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperazino]-4-(3-methylphenoxy)pyrimidine Formula: C23H23ClN4O3 MolecularWeight: 438.90672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=NC(=NC=C2)N3CCN(CC3)CC4=CC5=C(C=C4Cl)OCO5

Isomeric SMILES

CC1=CC(=CC=C1)OC2=NC(=NC=C2)N3CCN(CC3)CC4=CC5=C(C=C4Cl)OCO5

InChI

InChI=1S/C23H23ClN4O3/c1-16-3-2-4-18(11-16)31-22-5-6-25-23(26-22)28-9-7-27(8-10-28)14-17-12-20-21(13-19(17)24)30-15-29-20/h2-6,11-13H,7-10,14-15H2,1H3