1-[2-methyl-5-(pyridin-4-ylmethylcarbamoylamino)phenyl]-3-(pyridin-4-ylmethyl)urea

Systemtic Name: 1-[2-methyl-5-(pyridin-4-ylmethylcarbamoylamino)phenyl]-3-(pyridin-4-ylmethyl)urea Openeye Name: 1-[2-methyl-5-(4-pyridylmethylcarbamoylamino)phenyl]-3-(4-pyridylmethyl)urea CAS Name: 1-[2-methyl-5-[[oxo-(pyridin-4-ylmethylamino)methyl]amino]phenyl]-3-(pyridin-4-ylmethyl)urea IUPAC Name: 1-[2-methyl-5-(pyridin-4-ylmethylcarbamoylamino)phenyl]-3-(pyridin-4-ylmethyl)urea Traditional Name: 1-[2-methyl-5-(4-pyridylmethylcarbamoylamino)phenyl]-3-(4-pyridylmethyl)urea Formula: C21H22N6O2 MolecularWeight: 390.43838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NCC2=CC=NC=C2)NC(=O)NCC3=CC=NC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NCC2=CC=NC=C2)NC(=O)NCC3=CC=NC=C3

InChI

InChI=1S/C21H22N6O2/c1-15-2-3-18(26-20(28)24-13-16-4-8-22-9-5-16)12-19(15)27-21(29)25-14-17-6-10-23-11-7-17/h2-12H,13-14H2,1H3,(H2,24,26,28)(H2,25,27,29)