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

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

Systemtic Name:N6-tert-butyl-N4-(3-ethynylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine
Openeye Name:N6-tert-butyl-N4-(3-ethynylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine
CAS Name:N6-tert-butyl-N4-(3-ethynylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine
IUPAC Name:6-N-tert-butyl-4-N-(3-ethynylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine
Traditional Name:tert-butyl-[4-(3-ethynylanilino)pyrimido[5,4-d]pyrimidin-6-yl]amine
Formula: C18H18N6
MolecularWeight: 318.37572
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=NC=C2C(=N1)C(=NC=N2)NC3=CC=CC(=C3)C#C


Isomeric SMILES

CC(C)(C)NC1=NC=C2C(=N1)C(=NC=N2)NC3=CC=CC(=C3)C#C


InChI

InChI=1S/C18H18N6/c1-5-12-7-6-8-13(9-12)22-16-15-14(20-11-21-16)10-19-17(23-15)24-18(2,3)4/h1,6-11H,2-4H3,(H,19,23,24)(H,20,21,22)


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