N4-(3-ethynylphenyl)-N6-(oxolan-3-yl)pyrimido[5,4-d]pyrimidine-4,6-diamine

Systemtic Name: N4-(3-ethynylphenyl)-N6-(oxolan-3-yl)pyrimido[5,4-d]pyrimidine-4,6-diamine Openeye Name: N4-(3-ethynylphenyl)-N6-tetrahydrofuran-3-yl-pyrimido[5,4-d]pyrimidine-4,6-diamine CAS Name: N4-(3-ethynylphenyl)-N6-(3-oxolanyl)pyrimido[5,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(3-ethynylphenyl)-6-N-(oxolan-3-yl)pyrimido[5,4-d]pyrimidine-4,6-diamine Traditional Name: [4-(3-ethynylanilino)pyrimido[5,4-d]pyrimidin-6-yl]-tetrahydrofuran-3-yl-amine Formula: C18H16N6O MolecularWeight: 332.35924

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC2=NC=NC3=CN=C(N=C32)NC4CCOC4

Isomeric SMILES

C#CC1=CC(=CC=C1)NC2=NC=NC3=CN=C(N=C32)NC4CCOC4

InChI

InChI=1S/C18H16N6O/c1-2-12-4-3-5-13(8-12)22-17-16-15(20-11-21-17)9-19-18(24-16)23-14-6-7-25-10-14/h1,3-5,8-9,11,14H,6-7,10H2,(H,19,23,24)(H,20,21,22)