6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N4-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine

Systemtic Name: 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N4-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine Openeye Name: 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N4-(tetrahydrofuran-2-ylmethyl)pyrimidine-4,5-diamine CAS Name: 6-[4-(2,3-dimethylphenyl)-1-piperazinyl]-N4-(2-oxolanylmethyl)pyrimidine-4,5-diamine IUPAC Name: 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-[4-(2,3-dimethylphenyl)piperazino]pyrimidin-4-yl]-(tetrahydrofurfuryl)amine Formula: C21H30N6O MolecularWeight: 382.5025

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)NCC4CCCO4)N)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)NCC4CCCO4)N)C

InChI

InChI=1S/C21H30N6O/c1-15-5-3-7-18(16(15)2)26-8-10-27(11-9-26)21-19(22)20(24-14-25-21)23-13-17-6-4-12-28-17/h3,5,7,14,17H,4,6,8-13,22H2,1-2H3,(H,23,24,25)