N4-(3-chloranyl-4-fluoranyl-phenyl)-N6-prop-2-ynyl-pyrimido[5,4-d]pyrimidine-4,6-diamine

Systemtic Name: N4-(3-chloranyl-4-fluoranyl-phenyl)-N6-prop-2-ynyl-pyrimido[5,4-d]pyrimidine-4,6-diamine Openeye Name: N4-(3-chloro-4-fluoro-phenyl)-N6-prop-2-ynyl-pyrimido[5,4-d]pyrimidine-4,6-diamine CAS Name: N4-(3-chloro-4-fluorophenyl)-N6-prop-2-ynylpyrimido[5,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(3-chloro-4-fluorophenyl)-6-N-prop-2-ynylpyrimido[5,4-d]pyrimidine-4,6-diamine Traditional Name: [4-(3-chloro-4-fluoro-anilino)pyrimido[5,4-d]pyrimidin-6-yl]-propargyl-amine Formula: C15H10ClFN6 MolecularWeight: 328.731503

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC1=NC=C2C(=N1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C#CCNC1=NC=C2C(=N1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C15H10ClFN6/c1-2-5-18-15-19-7-12-13(23-15)14(21-8-20-12)22-9-3-4-11(17)10(16)6-9/h1,3-4,6-8H,5H2,(H,18,19,23)(H,20,21,22)