N'-[5-azanyl-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]-4-chloranyl-benzohydrazide

Systemtic Name: N'-[5-azanyl-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]-4-chloranyl-benzohydrazide Openeye Name: N'-[5-amino-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]-4-chloro-benzohydrazide CAS Name: N'-[5-amino-6-(1,3-benzodioxol-5-ylamino)-4-pyrimidinyl]-4-chlorobenzohydrazide IUPAC Name: N'-[5-amino-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]-4-chlorobenzohydrazide Traditional Name: N'-[5-amino-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]-4-chloro-benzohydrazide Formula: C18H15ClN6O3 MolecularWeight: 398.8031

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=NC=N3)NNC(=O)C4=CC=C(C=C4)Cl)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=NC=N3)NNC(=O)C4=CC=C(C=C4)Cl)N

InChI

InChI=1S/C18H15ClN6O3/c19-11-3-1-10(2-4-11)18(26)25-24-17-15(20)16(21-8-22-17)23-12-5-6-13-14(7-12)28-9-27-13/h1-8H,9,20H2,(H,25,26)(H2,21,22,23,24)